cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/znaxzvwvjhsclk-uhfffaoysa-n/ir
title: IR (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbonitrile, InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 483, 503, 555, 653, 688, 721, 747, 856, 873, 894, 936, 958, 966, 1132, 1162, 1191, 1231, 1302, 1320, 1408, 1438, 1453, 1483, 1553, 1591, 2215, 2364, 2861, 2938 cm–1.
DOI: 10.14272/aqtvuypmqtwgjz-uhfffaoysa-n.1
title: C16H15NO2
title: InChI=1S/C16H15NO2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: This dataset contains experimental data from a sample (5-nitrotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C16H15NO2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/aqtvuypmqtwgjz-uhfffaoysa-n/ir
title: IR (5-nitrotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C16H15NO2/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2922, 2851, 2356, 1591, 1550, 1513, 1482, 1451, 1436, 1333, 1300, 1201, 1180, 1095, 931, 904, 870, 805, 789, 758, 720, 703, 696, 635, 584, 507, 380 cm–1.
DOI: 10.14272/bcoiudgkuyyxrx-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H14BrN/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-10H,1-2,7-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2928, 2854, 2360, 2220, 1582, 1538, 1473, 1449, 1435, 1388, 1188, 1028, 966, 905, 875, 839, 721, 707, 670, 649, 612, 584, 504, 484, 469, 395, 378 cm–1.
DOI: 10.14272/cjwdoonthisdis-uhfffaoysa-n.1
title: C35H28N2
title: InChI=1S/C35H28N2/c36-25-31-23-26-11-12-27-14-16-29(18-17-28(31)15-13-26)35(24-27)30-19-21-34(22-20-30)37(32-7-3-1-4-8-32)33-9-5-2-6-10-33/h1-10,13-16,19-24H,11-12,17-18H2

description: This dataset contains experimental data from a sample (InChI=1S/C35H28N2/c36-25-31-23-26-11-12-27-14-16-29(18-17-28(31)15-13-26)35(24-27)30-19-21-34(22-20-30)37(32-7-3-1-4-8-32)33-9-5-2-6-10-33/h1-10,13-16,19-24H,11-12,17-18H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/cjwdoonthisdis-uhfffaoysa-n/ir
title: IR (, InChI=1S/C35H28N2/c36-25-31-23-26-11-12-27-14-16-29(18-17-28(31)15-13-26)35(24-27)30-19-21-34(22-20-30)37(32-7-3-1-4-8-32)33-9-5-2-6-10-33/h1-10,13-16,19-24H,11-12,17-18H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 486, 506, 623, 694, 722, 752, 836, 1154, 1179, 1272, 1316, 1404, 1435, 1449, 1486, 1509, 1587, 2215, 2357, 2363, 2851, 2922, 3034 cm–1.
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n.1
title: [2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: This dataset contains experimental data from a sample ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate, InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/iuempkxszcgpll-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H30F3N3O/c1-5-6-7-8-9-10-14-27-17-15(12-11-13-16(17)21(22,23)24)18(26-27)25-19(28)20(2,3)4/h11-13H,5-10,14H2,1-4H3,(H,25,26,28))

description: dataset for IR
      
      IR (ATR, ṽ) = 3306, 2958, 2925, 2871, 2856, 2361, 2342, 1676, 1612, 1581, 1547, 1503, 1485, 1466, 1409, 1374, 1357, 1324, 1302, 1264, 1251, 1235, 1220, 1197, 1187, 1169, 1143, 1112, 1088, 1064, 1034, 1023, 967, 935, 880, 827, 798, 790, 741, 724, 680, 669, 615, 584, 535, 510, 460, 421, 380 cm–1.
DOI: 10.14272/lptitagpbxddgr-xjgfbqbwsa-n.1
title: [(3R,4S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
title: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14+,15?,16+/m1/s1

description: This dataset contains experimental data from a sample ([(3R,4S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate, InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14+,15?,16+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lptitagpbxddgr-xjgfbqbwsa-n/ir
title: IR ([(3R,4S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate, InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14+,15?,16+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2987, 2360, 1740, 1434, 1368, 1207, 1166, 1147, 1085, 1047, 1026, 970, 935, 911, 786, 756, 686, 637, 599, 560, 499, 489, 466, 450, 405, 394 cm–1.
DOI: 10.14272/otcwhwwkbpcuas-uhfffaoysa-n.1
title: C22H25NO3
title: InChI=1S/C22H25NO3/c1-13-14(2)21-19(15(3)20(13)25-6)12-17(22(24)26-21)11-16-7-9-18(10-8-16)23(4)5/h7-10,12H,11H2,1-6H3

description: This dataset contains experimental data from a sample (3-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-5,7,8-trimethylchromen-2-one, InChI=1S/C22H25NO3/c1-13-14(2)21-19(15(3)20(13)25-6)12-17(22(24)26-21)11-16-7-9-18(10-8-16)23(4)5/h7-10,12H,11H2,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/otcwhwwkbpcuas-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-5,7,8-trimethylchromen-2-one)
title: InChI=1S/C22H25NO3/c1-13-14(2)21-19(15(3)20(13)25-6)12-17(22(24)26-21)11-16-7-9-18(10-8-16)23(4)5/h7-10,12H,11H2,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3012, 2893, 2820, 2363, 2336, 1720, 1613, 1596, 1562, 1521, 1445, 1421, 1373, 1354, 1330, 1286, 1231, 1198, 1180, 1169, 1133, 1091, 1081, 1068, 1040, 997, 946, 931, 909, 877, 824, 800, 782, 700, 647, 619, 595, 579, 528, 509 cm–1.
DOI: 10.14272/rsucruotlcqwfx-uhfffaoysa-n.1
title: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
title: InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3

description: This dataset contains experimental data from a sample (2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate, InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/rsucruotlcqwfx-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate)
title: InChI=1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3421, 2905, 2871, 1598, 1494, 1452, 1400, 1351, 1306, 1292, 1247, 1213, 1188, 1174, 1120, 1096, 1067, 1010, 918, 816, 773, 705, 686, 663, 635, 582, 554, 528, 503, 469, 387 cm–1.
DOI: 10.14272/xbrybwuobhryoc-uhfffaoysa-n.1
title: C14H19N3O
title: InChI=1S/C14H19N3O/c1-3-4-7-10-17-13-9-6-5-8-12(13)14(16-17)15-11(2)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16,18)

description: This dataset contains experimental data from a sample (InChI=1S/C14H19N3O/c1-3-4-7-10-17-13-9-6-5-8-12(13)14(16-17)15-11(2)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16,18)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xbrybwuobhryoc-uhfffaoysa-n/ir
title: IR (, InChI=1S/C14H19N3O/c1-3-4-7-10-17-13-9-6-5-8-12(13)14(16-17)15-11(2)18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16,18))

description: dataset for IR
      
      IR (ATR, ṽ) = 3189, 3159, 3126, 3075, 3055, 3020, 2959, 2930, 2873, 2863, 2826, 1723, 1656, 1617, 1582, 1554, 1493, 1462, 1454, 1440, 1427, 1411, 1374, 1356, 1317, 1270, 1246, 1193, 1164, 1144, 1132, 1085, 1038, 1009, 991, 969, 942, 930, 846, 805, 769, 744, 659, 622, 608, 581, 563, 540, 469, 436, 414 cm–1.
DOI: 10.14272/ypcaupzemjreeo-uhfffaoysa-n/ir
title: IR (, InChI=1S/C18H24F3N3O/c1-5-6-7-11-24-14-12(9-8-10-13(14)18(19,20)21)15(23-24)22-16(25)17(2,3)4/h8-10H,5-7,11H2,1-4H3,(H,22,23,25))

description: dataset for IR
      
      IR (ATR, ṽ) = 3271, 2959, 2917, 2873, 2859, 2361, 2342, 1660, 1616, 1584, 1530, 1506, 1479, 1421, 1409, 1377, 1354, 1300, 1252, 1220, 1193, 1174, 1156, 1116, 1102, 1081, 1067, 1023, 966, 935, 924, 887, 833, 798, 768, 738, 728, 717, 647, 633, 594, 578, 558, 533, 506, 470, 462, 398, 384 cm–1.
DOI: 10.5281/zenodo.3258920
title: Dataset for the phylogenomic analysis of Burkholderiaceae sp. PBA

description: File description:

Genome_Information.txt - Complete information of the genomes used in this study<br>
phylophlan_Alignment.fna.contree - IQtree tree (newick format) based on the alignment of 400 conserved proteins<br>
Aligned_SCGs.faa.contree - IQtree tree (newick format) based on the alignment of 200+ conserved proteins

Folder description (tar archive):

GToTree_output - Intermediate and Output files from GToTree<br>
PhylophlAN_output - Intermediate and Output files from PhylophlAN<br>
DOI: 10.14272/drglmvbuavedkh-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ([2-methyl-3-prop-2-ynoyloxy-2-(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C14H12O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h1-3H,8-10H2,4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3286, 3250, 2987, 2976, 2116, 1718, 1701, 1476, 1463, 1402, 1385, 1375, 1288, 1244, 1217, 1081, 1050, 1000, 980, 939, 908, 875, 749, 708, 696, 667, 605, 594, 550, 523, 475, 381 cm–1.
DOI: 10.14272/fgdjuezbmfelrw-uhfffaoysa-n.1
title: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
title: InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3

description: This dataset contains experimental data from a sample (2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate, InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/fgdjuezbmfelrw-uhfffaoysa-n/ir.1
title: infrared absorption spectroscopy (IR) (2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate)
title: InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3445, 2870, 1735, 1598, 1494, 1452, 1400, 1351, 1306, 1292, 1247, 1213, 1188, 1174, 1119, 1095, 1068, 1011, 918, 816, 775, 705, 686, 663, 635, 609, 582, 569, 554, 465, 388 cm–1.
DOI: 10.14272/lylvztdandspfq-uhfffaoysa-n.1
title: C17H16N6O2
title: InChI=1S/C17H14N4O2.H2N2/c18-20-19-14-5-1-11(2-6-14)12-4-8-16-13(9-12)3-7-15-10-23-17(22)21(15)16;1-2/h1-2,4-6,8-9,15H,3,7,10H2;1H2

description: This dataset contains experimental data from a sample (InChI=1S/C17H14N4O2.H2N2/c18-20-19-14-5-1-11(2-6-14)12-4-8-16-13(9-12)3-7-15-10-23-17(22)21(15)16;1-2/h1-2,4-6,8-9,15H,3,7,10H2;1H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lylvztdandspfq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H14N4O2.H2N2/c18-20-19-14-5-1-11(2-6-14)12-4-8-16-13(9-12)3-7-15-10-23-17(22)21(15)16;1-2/h1-2,4-6,8-9,15H,3,7,10H2;1H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 381, 422, 448, 533, 595, 664, 707, 718, 724, 751, 820, 840, 898, 935, 976, 1028, 1045, 1078, 1088, 1120, 1143, 1207, 1217, 1232, 1288, 1298, 1323, 1349, 1388, 1394, 1431, 1486, 1560, 1602, 1686, 1700, 1734, 2089, 2125, 2264, 2428, 2912, 2929 cm–1.
DOI: 10.14272/nhnyhkrwhcwhaj-oonheirlsa-n.1
title: [(3R,4S,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate
title: InChI=1S/C14H19N3O9/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)16-17-15/h10-14H,5H2,1-4H3/t10?,11-,12+,13?,14-/m1/s1

description: This dataset contains experimental data from a sample ([(3R,4S,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate, InChI=1S/C14H19N3O9/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)16-17-15/h10-14H,5H2,1-4H3/t10?,11-,12+,13?,14-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nhnyhkrwhcwhaj-oonheirlsa-n/ir
title: IR ([(3R,4S,6R)-3,4,5-triacetyloxy-6-azidooxan-2-yl]methyl acetate, InChI=1S/C14H19N3O9/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)16-17-15/h10-14H,5H2,1-4H3/t10?,11-,12+,13?,14-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2969, 2956, 2908, 2361, 2116, 1747, 1731, 1456, 1434, 1368, 1333, 1310, 1289, 1232, 1208, 1170, 1120, 1085, 1072, 1055, 1035, 976, 950, 907, 890, 878, 713, 684, 674, 645, 605, 596, 575, 555, 543, 482, 453, 395, 377 cm–1.
DOI: 10.14272/qrogafpzulqekr-uhfffaoysa-n.1
title: C15H18O3
title: InChI=1S/C15H18O3/c1-6-11-7-12-10(4)13(17-5)8(2)9(3)14(12)18-15(11)16/h7H,6H2,1-5H3

description: This dataset contains experimental data from a sample (3-ethyl-6-methoxy-5,7,8-trimethylchromen-2-one, InChI=1S/C15H18O3/c1-6-11-7-12-10(4)13(17-5)8(2)9(3)14(12)18-15(11)16/h7H,6H2,1-5H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/qrogafpzulqekr-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-ethyl-6-methoxy-5,7,8-trimethylchromen-2-one)
title: InChI=1S/C15H18O3/c1-6-11-7-12-10(4)13(17-5)8(2)9(3)14(12)18-15(11)16/h7H,6H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2996, 2973, 2956, 2928, 2867, 2839, 2361, 2340, 1701, 1629, 1596, 1564, 1446, 1419, 1381, 1368, 1336, 1286, 1258, 1200, 1153, 1139, 1102, 1088, 1033, 1001, 955, 942, 895, 881, 799, 781, 762, 710, 688, 653, 619, 589, 565, 530, 489, 458 cm–1.
DOI: 10.14272/uizkhljwmzewhj-uhfffaoysa-n.1
title: C16H20O2
title: InChI=1S/C16H20O2/c1-4-5-6-7-13-10-14-11(2)8-9-12(3)15(14)18-16(13)17/h8-10H,4-7H2,1-3H3

description: This dataset contains experimental data from a sample (5,8-dimethyl-3-pentylchromen-2-one, InChI=1S/C16H20O2/c1-4-5-6-7-13-10-14-11(2)8-9-12(3)15(14)18-16(13)17/h8-10H,4-7H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/uizkhljwmzewhj-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5,8-dimethyl-3-pentylchromen-2-one)
title: InChI=1S/C16H20O2/c1-4-5-6-7-13-10-14-11(2)8-9-12(3)15(14)18-16(13)17/h8-10H,4-7H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2972, 2946, 2924, 2870, 2856, 2735, 2360, 1711, 1638, 1599, 1489, 1466, 1446, 1428, 1380, 1315, 1302, 1272, 1258, 1238, 1171, 1116, 1077, 1038, 1020, 993, 970, 956, 905, 843, 829, 776, 755, 738, 718, 688, 669, 616, 578, 543, 511, 479, 442, 419 cm–1.
DOI: 10.14272/waqpoqiwcnxvmw-zymogrsisa-n.1
title: C19H31NO4Si
title: InChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-14-16-11-17(21)12-20(16)18(22)23-13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16?,17-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-14-16-11-17(21)12-20(16)18(22)23-13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16?,17-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/waqpoqiwcnxvmw-zymogrsisa-n/ir
title: IR (, InChI=1S/C19H31NO4Si/c1-19(2,3)25(4,5)24-14-16-11-17(21)12-20(16)18(22)23-13-15-9-7-6-8-10-15/h6-10,16-17,21H,11-14H2,1-5H3/t16?,17-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 398, 545, 561, 603, 670, 697, 734, 751, 773, 834, 916, 996, 1018, 1057, 1099, 1112, 1176, 1196, 1211, 1252, 1329, 1358, 1417, 1456, 1470, 1677, 1700, 2856, 2884, 2928, 2951 cm–1.
DOI: 10.14272/wtscpkrwcdiliv-gosisdbhsa-n.1
title: C21H17F3N2O9S
title: InChI=1S/C21H17F3N2O9S/c1-33-20(28)18-10-15(35-36(31,32)21(22,23)24)11-25(18)19(27)16-9-14(7-8-17(16)26(29)30)34-12-13-5-3-2-4-6-13/h2-9,11,18H,10,12H2,1H3/t18-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C21H17F3N2O9S/c1-33-20(28)18-10-15(35-36(31,32)21(22,23)24)11-25(18)19(27)16-9-14(7-8-17(16)26(29)30)34-12-13-5-3-2-4-6-13/h2-9,11,18H,10,12H2,1H3/t18-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xfsiptjotqrwbh-uhfffaoysa-n.1
title: C16H22BrN3O
title: InChI=1S/C16H22BrN3O/c1-5-6-9-20-13-8-7-11(17)10-12(13)14(19-20)18-15(21)16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,21)

description: This dataset contains experimental data from a sample (InChI=1S/C16H22BrN3O/c1-5-6-9-20-13-8-7-11(17)10-12(13)14(19-20)18-15(21)16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,21)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xfsiptjotqrwbh-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H22BrN3O/c1-5-6-9-20-13-8-7-11(17)10-12(13)14(19-20)18-15(21)16(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,21))

description: dataset for IR
      
      IR (ATR, ṽ) = 398, 426, 497, 562, 579, 646, 691, 741, 775, 800, 817, 846, 861, 877, 926, 943, 979, 1020, 1044, 1088, 1112, 1142, 1177, 1198, 1228, 1235, 1254, 1281, 1303, 1312, 1336, 1367, 1398, 1418, 1458, 1463, 1475, 1516, 1572, 1616, 1647, 1653, 1683, 2870, 2929, 2955, 3269 cm–1.
DOI: 10.14272/xukpcdifiureiq-uhfffaoysa-n.1
title: 5,8-dimethylchromen-2-one
title: InChI=1S/C11H10O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-6H,1-2H3

description: This dataset contains experimental data from a sample (5,8-dimethylchromen-2-one, InChI=1S/C11H10O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-6H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xukpcdifiureiq-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5,8-dimethylchromen-2-one)
title: InChI=1S/C11H10O2/c1-7-3-4-8(2)11-9(7)5-6-10(12)13-11/h3-6H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2982, 2945, 2922, 2867, 2854, 2364, 1752, 1713, 1626, 1594, 1575, 1487, 1462, 1443, 1429, 1378, 1361, 1262, 1242, 1203, 1183, 1164, 1125, 1077, 1062, 1043, 1011, 989, 958, 931, 905, 887, 860, 843, 819, 781, 765, 741, 728, 688, 677, 609, 581, 567, 544, 535, 511, 462, 452, 412, 377 cm–1.
DOI: 10.5281/zenodo.3258919
title: Dataset for the phylogenomic analysis of Burkholderiaceae sp. PBA

description: File description:

Genome_Information.txt - Complete information of the genomes used in this study<br>
phylophlan_Alignment.fna.contree - IQtree tree (newick format) based on the alignment of 400 conserved proteins<br>
Aligned_SCGs.faa.contree - IQtree tree (newick format) based on the alignment of 200+ conserved proteins

Folder description (tar archive):

GToTree_output - Intermediate and Output files from GToTree<br>
PhylophlAN_output - Intermediate and Output files from PhylophlAN<br>
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n.1
title: 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol
title: InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3

description: This dataset contains experimental data from a sample (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol, InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/iecvtznndjqhmf-uhfffaoysa-n/ir.1
title: IR (5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-ol, InChI=1S/C15H20OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 418, 462, 544, 569, 618, 633, 645, 701, 734, 748, 762, 843, 868, 904, 949, 962, 992, 1038, 1064, 1106, 1147, 1166, 1244, 1278, 1333, 1371, 1421, 1439, 1452, 1490, 1578, 1598, 2868, 2925, 2965 cm–1.
DOI: 10.14272/lxkwsuyfyqclrx-uhfffaoysa-n.1
title: 5-(1,3-dithiolan-2-ylidene)-5-phenylpentan-2-one
title: InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3

description: This dataset contains experimental data from a sample (5-(1,3-dithiolan-2-ylidene)-5-phenylpentan-2-one, InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lxkwsuyfyqclrx-uhfffaoysa-n/ir.1
title: IR (5-(1,3-dithiolan-2-ylidene)-5-phenylpentan-2-one, InChI=1S/C14H16OS2/c1-11(15)7-8-13(14-16-9-10-17-14)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 534, 700, 762, 850, 899, 918, 979, 1027, 1041, 1074, 1079, 1106, 1159, 1227, 1245, 1278, 1358, 1419, 1439, 1489, 1541, 1558, 1579, 1595, 1653, 1711, 2922, 3053 cm–1.
DOI: 10.14272/ntlstpncpwmksl-uhfffaoysa-n.1
title: C16H22BrN3O
title: InChI=1S/C16H22BrN3O/c1-5-6-9-20-14(18-15(21)16(2,3)4)12-10-11(17)7-8-13(12)19-20/h7-8,10H,5-6,9H2,1-4H3,(H,18,21)

description: This dataset contains experimental data from a sample (InChI=1S/C16H22BrN3O/c1-5-6-9-20-14(18-15(21)16(2,3)4)12-10-11(17)7-8-13(12)19-20/h7-8,10H,5-6,9H2,1-4H3,(H,18,21)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ntlstpncpwmksl-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H22BrN3O/c1-5-6-9-20-14(18-15(21)16(2,3)4)12-10-11(17)7-8-13(12)19-20/h7-8,10H,5-6,9H2,1-4H3,(H,18,21))

description: dataset for IR
      
      IR (ATR, ṽ) = 395, 419, 469, 557, 572, 588, 632, 670, 710, 738, 766, 773, 798, 809, 836, 857, 921, 932, 972, 1031, 1095, 1115, 1149, 1186, 1222, 1262, 1275, 1310, 1332, 1368, 1401, 1456, 1479, 1489, 1514, 1548, 1629, 1664, 2868, 2929, 2956, 3289 cm–1.
DOI: 10.14272/omufjmmsjbnmqw-uhfffaoysa-n.1
title: C12H12O2S
title: InChI=1S/C12H12O2S/c13-11(14)9-2-1-3-10(4-9)15-12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14)

description: This dataset contains experimental data from a sample (3-(1-bicyclo[1.1.1]pentanylsulfanyl)benzoic acid, InChI=1S/C12H12O2S/c13-11(14)9-2-1-3-10(4-9)15-12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/omufjmmsjbnmqw-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-(1-bicyclo[1.1.1]pentanylsulfanyl)benzoic acid)
title: InChI=1S/C12H12O2S/c13-11(14)9-2-1-3-10(4-9)15-12-5-8(6-12)7-12/h1-4,8H,5-7H2,(H,13,14)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2986, 2961, 2905, 2873, 2656, 2543, 1686, 1591, 1570, 1473, 1419, 1404, 1290, 1259, 1204, 1164, 1139, 1125, 1071, 1000, 928, 905, 885, 847, 813, 747, 720, 677, 656, 548, 516, 432, 414 cm–1.
DOI: 10.14272/qculhpgmkxpela-uhfffaoysa-n.1
title: C12H15N3O
title: InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3,(H2,13,14)

description: This dataset contains experimental data from a sample (InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3,(H2,13,14)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vypzghxepuxqiy-uhfffaoysa-n.1
title: 4-[2,5-bis(azidomethyl)-4-(4-carboxyphenyl)phenyl]benzoic acid
title: InChI=1S/C22H16N6O4/c23-27-25-11-17-10-20(14-3-7-16(8-4-14)22(31)32)18(12-26-28-24)9-19(17)13-1-5-15(6-2-13)21(29)30/h1-10H,11-12H2,(H,29,30)(H,31,32)

description: This dataset contains experimental data from a sample (4-[2,5-bis(azidomethyl)-4-(4-carboxyphenyl)phenyl]benzoic acid, InChI=1S/C22H16N6O4/c23-27-25-11-17-10-20(14-3-7-16(8-4-14)22(31)32)18(12-26-28-24)9-19(17)13-1-5-15(6-2-13)21(29)30/h1-10H,11-12H2,(H,29,30)(H,31,32)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wtscpkrwcdiliv-gosisdbhsa-n/ir
title: IR (, InChI=1S/C21H17F3N2O9S/c1-33-20(28)18-10-15(35-36(31,32)21(22,23)24)11-25(18)19(27)16-9-14(7-8-17(16)26(29)30)34-12-13-5-3-2-4-6-13/h2-9,11,18H,10,12H2,1H3/t18-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3114, 2356, 1749, 1677, 1663, 1615, 1578, 1516, 1499, 1489, 1459, 1424, 1405, 1350, 1336, 1309, 1299, 1286, 1238, 1204, 1176, 1133, 1078, 1021, 1000, 942, 924, 891, 882, 839, 823, 758, 741, 698, 674, 669, 630, 606, 581, 571, 547, 510, 452, 441, 424, 402, 381 cm–1.