cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.12853501
title: Effect of phytochrome-mediated red light signaling on phosphorus uptake and accumulation in rice

description: Phosphorus (P) is a macronutrient essential for plant growth and productivity. Plants uptake P as inorganic phosphate (Pi); however, in the natural ecosystem, Pi availability is frequently a severe limiting factor for plant growth. Thus, plants have evolved several mechanisms, such as the expression of Pi starvation-responsive genes, to adapt to Pi deficient conditions. Although we recently reported that phytochrome (Phy)-mediated red light signaling promotes Pi uptake by increasing expression levels of such genes in the model plant Arabidopsis, it remains elusive whether a similar mechanism exists in agricultural crops. In the present study, we analyzed the effects of red light signaling on Pi uptake in rice (<i>Oryza sativa</i> L.) using <i>osphyA</i> and <i>osphyB</i> single mutants, and the <i>osphyA osphyB</i> double mutant. Unlike <i>osphyA</i> seedlings, <i>osphyB</i> seedlings showed a reduction in Pi uptake and Pi content. Furthermore, illumination of wild-type seedlings with red light significantly promoted Pi uptake, whereas illumination with blue or far-red light did not. The <i>osphyB</i> mutant showed reduced expression levels of several Pi starvation-responsive genes including Pi transporter genes. Additionally, these phenotypes of <i>osphyB</i> knockout mutants were much more evident under Pi deficient conditions than under Pi sufficient conditions. Moreover, red light promoted Pi uptake in seedlings of other plant species including broccoli (<i>Brassica oleracea</i> L. var. <i>italica</i>) and lettuce (<i>Latuca sativa</i> L.). These results suggest that OsPhyB-mediated red light signaling promotes Pi uptake in rice by up-regulating the expression of Pi starvation response-associated genes, and this phenomenon may be conserved in a wide range of plant species.
DOI: 10.6084/m9.figshare.13109781.v1
title: Mineralogical and surface charge characteristics of Andosols experiencing long-term, land-use change in West Java, Indonesia

description: Extensive areas of Andosols in tropical Indonesia have been subjected to long-term (&gt;100 years) alterations from native forest to agricultural land use. This study assessed the mineralogical and surface charge characteristics of Andosols in West Java, Indonesia and assessed their resilience upon conversion from rainforest (PF1) to tea plantation (TP1) and horticultural practices. Soils developed in basaltic-andesite volcanic ash (&lt;15,000 years B.P.) under an isothermic/perudic soil climate and were classified as Silandic Andosols. The colloidal fraction of all soils was dominated by nanocrystalline/paracrystalline materials (e.g., allophone, imogolite, ferrihydrite) and Al/Fe-humic complexes. Crystalline minerals were a minor component of the clay fraction and followed kaolinite &gt; hydroxyl-Al interlayered vermiculite (HIV) ≈ gibbsite. The colloidal fraction appeared relatively resilient to changes in land use, except for the tea plantation in which allophanic material content decreased and Al–humus complexes increased due to strong soil acidification, and decreased ferrihydrite in the horticultural soils, possibly due to liming and increased organic matter. In spite of the abundance of allophanic materials, Fe (hydr)oxides and organic matter appeared to regulate surface charge characteristics of the colloidal fraction. Net soil charge in PF1 and TP1 soils was positive (pHPZNC). Horse manure and lime amendments to the horticultural soils lowered the PZNC, increased negative charge (CEC) and decreased positive charge (AEC). At ambient soil conditions, CEC increased from &lt;1.2 cmol<sub>c</sub> kg<sup>−1</sup> in PF1 and TP1 soils to 6–20 cmol<sub>c</sub> kg<sup>−1</sup> in soils under horticultural management, while positive charge (AEC) was appreciably higher (0.7–4.3 cmol<sub>c</sub> kg<sup>−1</sup>) in PF1 and TP1 soils than in horticultural soils (&lt;0.6 cmol<sub>c</sub> kg<sup>−1</sup>). This study demonstrated that the colloidal fraction is relatively resilient to land-use change; however, charge characteristics of the variable-charged colloids can be readily altered by soil management practices.
DOI: 10.6084/m9.figshare.13109781
title: Mineralogical and surface charge characteristics of Andosols experiencing long-term, land-use change in West Java, Indonesia

description: Extensive areas of Andosols in tropical Indonesia have been subjected to long-term (&gt;100 years) alterations from native forest to agricultural land use. This study assessed the mineralogical and surface charge characteristics of Andosols in West Java, Indonesia and assessed their resilience upon conversion from rainforest (PF1) to tea plantation (TP1) and horticultural practices. Soils developed in basaltic-andesite volcanic ash (&lt;15,000 years B.P.) under an isothermic/perudic soil climate and were classified as Silandic Andosols. The colloidal fraction of all soils was dominated by nanocrystalline/paracrystalline materials (e.g., allophone, imogolite, ferrihydrite) and Al/Fe-humic complexes. Crystalline minerals were a minor component of the clay fraction and followed kaolinite &gt; hydroxyl-Al interlayered vermiculite (HIV) ≈ gibbsite. The colloidal fraction appeared relatively resilient to changes in land use, except for the tea plantation in which allophanic material content decreased and Al–humus complexes increased due to strong soil acidification, and decreased ferrihydrite in the horticultural soils, possibly due to liming and increased organic matter. In spite of the abundance of allophanic materials, Fe (hydr)oxides and organic matter appeared to regulate surface charge characteristics of the colloidal fraction. Net soil charge in PF1 and TP1 soils was positive (pHPZNC). Horse manure and lime amendments to the horticultural soils lowered the PZNC, increased negative charge (CEC) and decreased positive charge (AEC). At ambient soil conditions, CEC increased from &lt;1.2 cmol<sub>c</sub> kg<sup>−1</sup> in PF1 and TP1 soils to 6–20 cmol<sub>c</sub> kg<sup>−1</sup> in soils under horticultural management, while positive charge (AEC) was appreciably higher (0.7–4.3 cmol<sub>c</sub> kg<sup>−1</sup>) in PF1 and TP1 soils than in horticultural soils (&lt;0.6 cmol<sub>c</sub> kg<sup>−1</sup>). This study demonstrated that the colloidal fraction is relatively resilient to land-use change; however, charge characteristics of the variable-charged colloids can be readily altered by soil management practices.
DOI: 10.5281/zenodo.572377
title: Visualization of Dissolution-Precipitation Processes in Lithium-Sulfur Batteries: Supporting Data

description: Contours_1.gif: 0 mA/g - pristine state Contours_2.gif: 30 mA/g Contours_3.gif: 80 mA/g Contours_4.gif: 130 mA/g Contours_5.gif: 180 mA/g Contours_6.gif: 230 mA/g Contours_7.gif: 330 mA/g - no remaining solid sulphur
DOI: 10.5281/zenodo.599974
title: Visualization of Dissolution-Precipitation Processes in Lithium-Sulfur Batteries: Supporting Data

description: Contours_1.gif: 0 mA/g - pristine state Contours_2.gif: 30 mA/g Contours_3.gif: 80 mA/g Contours_4.gif: 130 mA/g Contours_5.gif: 180 mA/g Contours_6.gif: 230 mA/g Contours_7.gif: 330 mA/g - no remaining solid sulphur
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.28 (dd, J = 7.7, 1.6 Hz, 1H), 7.14 (ddd, J = 8.2, 7.3, 1.6 Hz, 1H), 6.74–6.66 (m, 2H), 4.94 (s, 2H), 4.04 (br.s., 2H), 2.12 (s, 3H).
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C), m/z (%): 189 (100) [M]+, 130 (61), 129 (94), 102 (36). HRMS (C11H11NO2): calcd 189.0784, found 189.0785.
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3468 (w), 3371 (w), 3030 (vw), 2935 (vw), 2217 (w), 1732 (vs), 1652 (w), 1615 (vs), 1571 (w), 1492 (vs), 1455 (s), 1434 (m), 1377 (m), 1358 (s), 1313 (m), 1265 (m), 1220 (vs), 1157 (m), 1143 (m), 1085 (w), 1021 (vs), 987 (m), 952 (s), 909 (w), 856 (w), 829 (m), 788 (w), 749 (vs), 707 (m), 663 (m), 629 (m), 606 (m), 577 (m), 564 (m), 547 (m), 510 (m), 479 (m), 439 (m), 421 (m), 412 (m), 402 (m), 398 (m), 392 (m), 387 (m), 380 (w) cm–1.
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n.1
title: 3-(2-aminophenyl)prop-2-yn-1-yl acetate
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: This dataset contains experimental data from a sample (3-(2-aminophenyl)prop-2-ynyl acetate, InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/gnqnewxhzqxhcs-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-(2-aminophenyl)prop-2-ynyl acetate)
title: InChI=1S/C11H11NO2/c1-9(13)14-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,8,12H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 170.6, 148.7, 132.6 (+, CH), 130.4 (+, CH), 117.9 (+, CH), 114.4 (+, CH), 106.7, 88.6, 83.5, 53.2 (–, CH2), 21.0 (+, CH3).
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 194 (16) [M+1]+, 193 (100) [M]+, 192 (9), 181 (43), 165 (26), 131 (45), 119 (12), 100 (11), 90 (10), 69 (83). HRMS (C14H11N): calcd 193.0885, found 193.0866. Analytical data were obtained from another batch.
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3463 (w), 3381 (w), 3367 (w), 3048 (w), 3029 (w), 2953 (vw), 2921 (w), 2871 (vw), 2854 (w), 2204 (w), 1611 (m), 1592 (w), 1567 (w), 1494 (w), 1482 (m), 1453 (m), 1439 (w), 1391 (vw), 1310 (m), 1275 (w), 1258 (w), 1150 (w), 1068 (w), 1024 (w), 941 (w), 914 (w), 858 (w), 744 (vs), 688 (vs), 622 (w), 582 (w), 560 (m), 526 (m), 516 (m), 479 (s), 448 (m), 438 (w), 422 (w), 415 (w), 401 (m), 387 (s), 377 (s) cm–1. Analytical data were obtained from another batch.
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.56–7.51 (m, 2H), 7.41–7.30 (m, 4H), 7.15 (ddd, J = 8.1, 7.3, 1.6 Hz, 1H), 6.74 (td, J = 7.7, 0.9 Hz, 2H), 4.20 (br.s, 2H).
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) Analytical data were obtained from another batch.
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n.1
title: 2-(2-phenylethynyl)aniline
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: This dataset contains experimental data from a sample (2-(2-phenylethynyl)aniline, InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 147.9, 132.3 (+, CH), 131.6 (+, CH, 2C), 129.9 (+, CH), 128.5 (+, CH, 2C), 128.4 (+, CH), 123.5, 118.1 (+, CH), 114.5 (+, CH), 108.1, 94.8, 86.0. Analytical data were obtained from another batch.
DOI: 10.14272/bzdtzzosiauobs-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-phenylethynyl)aniline)
title: InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2

description: dataset for distortionless enhancement with polarization transfer (DEPT) Analytical data were obtained from another batch.
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.50–7.45 (m, 2H), 7.37 (dd, J = 7.6, 1.4 Hz, 1H), 7.14 (td, J = 7.6, 1.5 Hz, 1H), 6.91–6.87 (m, 2H), 6.75–6.70 (m, 2H), 4.22 (br. s, 2H), 3.83 (s, 3H).
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n.1
title: 2-[2-(4-methoxyphenyl)ethynyl]aniline
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: This dataset contains experimental data from a sample (2-[2-(4-methoxyphenyl)ethynyl]aniline, InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 159.7, 147.7, 133.0 (+, CH, 2C), 132.1 (+, CH), 129.5 (+, CH), 118.1 (+, CH), 115.5, 114.4 (+, CH), 114.1 (+, CH, 2C), 108.5, 94.8, 84.6, 55.4 (+, CH3).
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3483 (w), 3386 (w), 3016 (w), 2966 (w), 2952 (w), 2934 (w), 2917 (w), 2897 (w), 2839 (w), 1604 (s), 1565 (w), 1504 (s), 1489 (s), 1455 (s), 1441 (m), 1415 (w), 1309 (w), 1285 (m), 1258 (w), 1242 (vs), 1184 (w), 1173 (s), 1159 (m), 1146 (m), 1125 (w), 1105 (m), 1023 (vs), 967 (w), 942 (w), 915 (w), 867 (w), 830 (vs), 822 (s), 764 (w), 751 (vs), 717 (m), 653 (w), 639 (m), 602 (w), 581 (w), 554 (s), 531 (s), 500 (s), 483 (vs), 439 (m), 432 (m), 416 (m), 387 (s) cm–1.
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/yaxviurcvhctst-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-[2-(4-methoxyphenyl)ethynyl]aniline)
title: InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C), m/z (%): 224 (15) [M+1]+, 223 (90) [M]+, 219 (13), 209 (16), 208 (100), 181 (15), 180 (60), 169 (25), 152 (22), 131 (23), 119 (21), 69 (67). HRMS (C15H13NO): calcd 223.0992, found 223.0990.
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000595.2
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm] ppm) δ = 162.6 (d, J = 249.1 Hz), 147.8, 133.5 (d, J = 8.4 Hz, +, CH, 2C), 132.3 (+, CH), 129.9 (+, CH), 119.5 (d, J = 3.7 Hz), 118.2 (+, CH), 115.8 (d, J = 21.8 Hz, +, CH, 2C), 114.5 (+, CH), 107.9, 93.7, 85.7 (d, J = 1.5 Hz).
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000630.2
title: infrared absorption spectroscopy (IR) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3468 (w), 3370 (w), 3057 (w), 3043 (w), 2207 (w), 1898 (w), 1611 (s), 1582 (w), 1564 (w), 1503 (s), 1487 (vs), 1452 (s), 1404 (w), 1309 (m), 1259 (w), 1218 (s), 1153 (s), 1092 (m), 1058 (w), 1026 (w), 1010 (w), 976 (w), 959 (w), 941 (m), 914 (w), 868 (w), 836 (vs), 773 (m), 748 (vs), 710 (m), 693 (m), 670 (m), 662 (m), 652 (m), 628 (m), 618 (m), 602 (m), 594 (m), 578 (m), 560 (m), 543 (s), 528 (vs), 503 (s), 484 (vs), 467 (vs), 445 (s), 428 (s), 409 (s), 402 (s), 388 (s), 375 (vs) cm–1. IR (ATR, ṽ) = 3468 (w), 3370 (w), 3057 (w), 3043 (w), 2207 (w), 1898 (w), 1611 (s), 1582 (w), 1564 (w), 1503 (s), 1487 (vs), 1452 (s), 1404 (w), 1309 (m), 1259 (w), 1218 (s), 1153 (s), 1092 (m), 1058 (w), 1026 (w), 1010 (w), 976 (w), 959 (w), 941 (m), 914 (w), 868 (w), 836 (vs), 773 (m), 748 (vs), 710 (m), 693 (m), 670 (m), 662 (m), 652 (m), 628 (m), 618 (m), 602 (m), 594 (m), 578 (m), 560 (m), 543 (s), 528 (vs), 503 (s), 484 (vs), 467 (vs), 445 (s), 428 (s), 409 (s), 402 (s), 388 (s), 375 (vs) cm–1.
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.55–7.48 (m, 2H), 7.37 (dd, J = 7.9, 1.6 Hz, 1H), 7.19–7.12 (m, 1H), 7.09–7.02 (m, 2H), 6.78–6.70 (m, 2H), 4.26 (br. s, 2H).
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000596.4
title: distortionless enhancement with polarization transfer (DEPT) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000470.2
title: mass spectrometry (MS) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 50 °C), m/z (%): 211 (100) [M]+, 183 (22), 181 (39), 131 (17). HRMS (C14H10FN): calcd 211.0792, found 211.0791.
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000597.2
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3, ppm) δ = –110.98.
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n.3
title: 2-[2-(4-fluorophenyl)ethynyl]aniline
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: This dataset contains experimental data from a sample (2-[2-(4-fluorophenyl)ethynyl]aniline, InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 19F nuclear magnetic resonance spectroscopy (19F NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/tukbdckefzmyle-uhfffaoysa-n/chmo0000596.5
title: distortionless enhancement with polarization transfer (DEPT) (2-[2-(4-fluorophenyl)ethynyl]aniline)
title: InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/snsofpmbgvymgj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H12N2O2/c18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21/h1-4,6,8-10H,11,18H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3475 (m), 3376 (s), 3206 (w), 3053 (w), 2953 (w), 2925 (w), 2225 (w), 1771 (w), 1707 (vs), 1619 (s), 1570 (m), 1494 (m), 1466 (w), 1458 (m), 1418 (s), 1388 (vs), 1346 (s), 1312 (vs), 1269 (s), 1205 (w), 1188 (m), 1169 (m), 1142 (w), 1115 (vs), 1085 (s), 1065 (m), 1030 (w), 1013 (w), 992 (w), 936 (vs), 885 (w), 849 (m), 829 (w), 785 (w), 751 (s), 738 (vs), 722 (vs), 707 (vs), 697 (vs), 626 (s), 582 (w), 574 (w), 560 (m), 528 (vs), 483 (s), 469 (m), 450 (vs), 428 (s), 415 (vs), 401 (vs), 395 (vs), 390 (vs) cm–1.
DOI: 10.14272/snsofpmbgvymgj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H12N2O2/c18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21/h1-4,6,8-10H,11,18H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.88 (dd, J = 5.5, 3.0 Hz, 2H), 7.73 (dd, J = 5.5, 3.0 Hz, 2H), 7.23 (dd, J = 7.7, 1.6 Hz, 1H), 7.09 (td, J = 7.7, 1.6 Hz, 1H), 6.81–6.40 (m, 2H), 4.72 (s, 2H), 4.30 (s, 2H).