cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/pueckubstsemfv-jzcoktkisa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C138H114N12O10/c1-7-9-11-13-15-33-79-159-133-123(139-111-43-29-31-45-113(111)149-133)77-75-121-119(145-125-81-103(91-35-21-17-22-36-91)105(83-127(125)147-121)93-39-25-19-26-40-93)73-71-117-115(141-129-85-107(95-53-61-99(62-54-95)135(151)155-3)109(87-131(129)143-117)97-57-65-101(66-58-97)137(153)157-5)69-51-89-47-49-90(50-48-89)52-70-116-118(144-132-88-110(98-59-67-102(68-60-98)138(154)158-6)108(86-130(132)142-116)96-55-63-100(64-56-96)136(152)156-4)72-74-120-122(76-78-124-134(160-80-34-16-14-12-10-8-2)150-114-46-32-30-44-112(114)140-124)148-128-84-106(94-41-27-20-28-42-94)104(82-126(128)146-120)92-37-23-18-24-38-92/h17-32,35-78,81-88H,7-16,33-34,79-80H2,1-6H3/b69-51+,70-52+,73-71+,74-72+,77-75+,78-76+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pueckubstsemfv-jzcoktkisa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C138H114N12O10/c1-7-9-11-13-15-33-79-159-133-123(139-111-43-29-31-45-113(111)149-133)77-75-121-119(145-125-81-103(91-35-21-17-22-36-91)105(83-127(125)147-121)93-39-25-19-26-40-93)73-71-117-115(141-129-85-107(95-53-61-99(62-54-95)135(151)155-3)109(87-131(129)143-117)97-57-65-101(66-58-97)137(153)157-5)69-51-89-47-49-90(50-48-89)52-70-116-118(144-132-88-110(98-59-67-102(68-60-98)138(154)158-6)108(86-130(132)142-116)96-55-63-100(64-56-96)136(152)156-4)72-74-120-122(76-78-124-134(160-80-34-16-14-12-10-8-2)150-114-46-32-30-44-112(114)140-124)148-128-84-106(94-41-27-20-28-42-94)104(82-126(128)146-120)92-37-23-18-24-38-92/h17-32,35-78,81-88H,7-16,33-34,79-80H2,1-6H3/b69-51+,70-52+,73-71+,74-72+,77-75+,78-76+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pueckubstsemfv-jzcoktkisa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C138H114N12O10/c1-7-9-11-13-15-33-79-159-133-123(139-111-43-29-31-45-113(111)149-133)77-75-121-119(145-125-81-103(91-35-21-17-22-36-91)105(83-127(125)147-121)93-39-25-19-26-40-93)73-71-117-115(141-129-85-107(95-53-61-99(62-54-95)135(151)155-3)109(87-131(129)143-117)97-57-65-101(66-58-97)137(153)157-5)69-51-89-47-49-90(50-48-89)52-70-116-118(144-132-88-110(98-59-67-102(68-60-98)138(154)158-6)108(86-130(132)142-116)96-55-63-100(64-56-96)136(152)156-4)72-74-120-122(76-78-124-134(160-80-34-16-14-12-10-8-2)150-114-46-32-30-44-112(114)140-124)148-128-84-106(94-41-27-20-28-42-94)104(82-126(128)146-120)92-37-23-18-24-38-92/h17-32,35-78,81-88H,7-16,33-34,79-80H2,1-6H3/b69-51+,70-52+,73-71+,74-72+,77-75+,78-76+

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/pueckubstsemfv-jzcoktkisa-n/chmo0000292.1
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C138H114N12O10/c1-7-9-11-13-15-33-79-159-133-123(139-111-43-29-31-45-113(111)149-133)77-75-121-119(145-125-81-103(91-35-21-17-22-36-91)105(83-127(125)147-121)93-39-25-19-26-40-93)73-71-117-115(141-129-85-107(95-53-61-99(62-54-95)135(151)155-3)109(87-131(129)143-117)97-57-65-101(66-58-97)137(153)157-5)69-51-89-47-49-90(50-48-89)52-70-116-118(144-132-88-110(98-59-67-102(68-60-98)138(154)158-6)108(86-130(132)142-116)96-55-63-100(64-56-96)136(152)156-4)72-74-120-122(76-78-124-134(160-80-34-16-14-12-10-8-2)150-114-46-32-30-44-112(114)140-124)148-128-84-106(94-41-27-20-28-42-94)104(82-126(128)146-120)92-37-23-18-24-38-92/h17-32,35-78,81-88H,7-16,33-34,79-80H2,1-6H3/b69-51+,70-52+,73-71+,74-72+,77-75+,78-76+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (emission, CH2Cl2 [18 µmol/L], 21 °C), λmax = 504 nm.
DOI: 10.14272/pueckubstsemfv-jzcoktkisa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C138H114N12O10/c1-7-9-11-13-15-33-79-159-133-123(139-111-43-29-31-45-113(111)149-133)77-75-121-119(145-125-81-103(91-35-21-17-22-36-91)105(83-127(125)147-121)93-39-25-19-26-40-93)73-71-117-115(141-129-85-107(95-53-61-99(62-54-95)135(151)155-3)109(87-131(129)143-117)97-57-65-101(66-58-97)137(153)157-5)69-51-89-47-49-90(50-48-89)52-70-116-118(144-132-88-110(98-59-67-102(68-60-98)138(154)158-6)108(86-130(132)142-116)96-55-63-100(64-56-96)136(152)156-4)72-74-120-122(76-78-124-134(160-80-34-16-14-12-10-8-2)150-114-46-32-30-44-112(114)140-124)148-128-84-106(94-41-27-20-28-42-94)104(82-126(128)146-120)92-37-23-18-24-38-92/h17-32,35-78,81-88H,7-16,33-34,79-80H2,1-6H3/b69-51+,70-52+,73-71+,74-72+,77-75+,78-76+

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm], ppm) δ = 0.76–0.84 (m, 6H, CH3), 1.06–1.35 (m, 16H, CH2), 1.41–1.56 (m, 4H, CH2), 1.85–2.01 (m, 4H, CH2), 4.47–4.67 (m, 4H, OCH2), 6.82–8.95 (m, 56H, HAr). Impurities: 0.86 and 1.26 ppm (grease), 3.49 ppm (methanol), 4.40 ppm.CDCl3 signal overlapped by signal between 7.03 and 7.39 ppm.
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3061, 3023, 2951, 2919, 2850, 1717, 1622, 1571, 1551, 1520, 1510, 1493, 1482, 1462, 1441, 1415, 1363, 1319, 1299, 1259, 1221, 1196, 1163, 1149, 1135, 1129, 1074, 1044, 1031, 1016, 1000, 969, 932, 918, 892, 871, 864, 823, 805, 755, 725, 697, 671, 622, 605, 555, 543, 530, 504, 479, 455, 426, 402, 392 cm–1.
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: dataset for mass spectrometry (MS) MS (MALDI-TOF, DCTB), m/z (%): 1565 (34) [M+2H]+, 1564 (31) [M+H]+, 1347 (37), 1346 (35), 1098 (32), 1097 (76), 1096 (88), 1095 (100). HRMS–MALDI-TOF (m/z): [M + H]+ calcd for C106H91O2N12 1563.7309; found 1563.7318.
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2 [18 µmol/L], 21 °C), λmax (log ε in M-1cm-1) = 404 (4.85), 327 (4.88), 243 (4.97) nm.
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n/chmo0000292.1
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (emission, CH2Cl2 [18 µmol/L], 21 °C), λmax = 506, 484 nm.
DOI: 10.14272/duippocvwfewbx-wxunrcgosa-n.1
title: 1,4-bis((E)-2-(3-((E)-2-(3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)-6,7-diphenylquinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)benzene
title: InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+

description: This dataset contains experimental data from a sample (InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) ultraviolet-visible spectrophotometry (UV-VIS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2 [18 µmol/L], 21 °C), λmax (log ε in M-1cm-1) = 395 (4.90), 321 (4.86), 239 (4.86) nm.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3054, 2922, 2851, 1714, 1680, 1630, 1609, 1571, 1553, 1521, 1490, 1479, 1469, 1465, 1417, 1366, 1320, 1295, 1252, 1231, 1220, 1196, 1150, 1129, 1096, 1006, 967, 960, 891, 833, 820, 772, 754, 704, 662, 639, 629, 606, 581, 557, 541, 501, 482, 470, 460, 431, 395 cm–1.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000292.1
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (emission, CH2Cl2 [18 µmol/L], 21 °C), λmax = 501 nm.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = -5.1 (4C, SiCH3), 18.5 (2C, Cq), 26.0 (2C, CH2), 26.1 (6C, CH3), 26.3 (2C, CH2), 28.9 (2C, CH2), 29.4–30.0 (m, 12C, CH2), 33.0 (2C, CH2), 63.5 (2C, OCH2), 67.2 (2C, OCH2). Signal missing/unidentifiable (66C, Cq, CH) due to too low solubility.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for mass spectrometry (MS) MS (MALDI-TOF, DCTB), m/z (%): 1884 (50), 1883 (69), 1882 (45), 1650 (51), 1649 (83), 1648 (64), 1634 (66) [M+3H]+, 1633 (100) [M+2H]+, 1632 (83) [M+H]+, 1381 (36), 1380 (34), 1131 (58), 1130 (68). HRMS–MALDI-TOF (m/z): [M + H]+ calcd for C102H119O4N12Si2 1631.8937; found 1631.9055.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n.1
title: 1,4-bis((E)-2-(3-((E)-2-(3-((E)-2-(3-((12-((tert-butyldimethylsilyl)oxy)dodecyl)oxy)quinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)benzene
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: This dataset contains experimental data from a sample (InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+). 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) infrared absorption spectroscopy (IR) mass spectrometry (MS) ultraviolet-visible spectrophotometry (UV-VIS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm], ppm) δ = 0.07 (s, 12H, SiCH3), 0.92 (s, 18H, CCH3), 1.08–1.72 (m, 36H, CH2), 1.78–2.37 (m, 4H, CH2), 3.61 (s, 4H, OCH2), 4.30–4.79 (m, 4H, OCH2), 6.78–9.23 (m, 40H, HAr). Impurity : 4.43 ppm.CDCl3 signal overlapped by signal between 6.78 and 9.23 ppm.
DOI: 10.14272/uzocjowawrlphi-rlhiyfktsa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rilugtbehoyoeg-lipfpyfhsa-n.1
title: 1,4-bis((E)-2-(3-((E)-2-(3-((E)-2-(3-(octyloxy)quinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)quinoxalin-2-yl)vinyl)benzene
title: InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+

description: This dataset contains experimental data from a sample (InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+). The datasets from the following experiments are available: mass spectrometry (MS) mass spectrometry (MS) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/rilugtbehoyoeg-lipfpyfhsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3053, 2951, 2915, 2850, 1628, 1612, 1570, 1551, 1520, 1511, 1492, 1477, 1466, 1415, 1366, 1320, 1293, 1261, 1218, 1193, 1149, 1128, 1009, 967, 960, 932, 914, 890, 868, 837, 819, 803, 792, 754, 704, 694, 646, 629, 605, 588, 558, 538, 516, 500, 482, 472, 459, 433, 422, 391, 384 cm–1.
DOI: 10.14272/rilugtbehoyoeg-lipfpyfhsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 1262 (6) [M+3H]+, 1261 (8) [M+2H]+, 1260 (6) [M+H]+, 1259 (4), 321 (19), 307 (29), 169 (17), 155 (33), 154 (100), 139 (18), 138 (32), 137 (55), 136 (73), 107 (21), 91 (17), 90 (16), 89 (21).
DOI: 10.14272/rilugtbehoyoeg-lipfpyfhsa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+

description: dataset for mass spectrometry (MS) MS (MALDI-TOF, DCTB), m/z (%): 1623 (35), 1622 (29), 1262 (35) [M+3H]+, 1261 (94) [M+2H]+, 1260 (100) [M+H]+, 935 (22), 934 (32), 933 (32), 751 (20) HRMS–MALDI-TOF (m/z): [M + H]+ calcd for C82H75O2N12 1259.6057; found 1259.6093.
DOI: 10.14272/rilugtbehoyoeg-lipfpyfhsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C82H74N12O2/c1-3-5-7-9-11-25-55-95-81-79(91-67-35-21-23-37-69(67)93-81)53-51-77-75(87-63-31-17-19-33-65(63)89-77)49-47-73-71(83-59-27-13-15-29-61(59)85-73)45-43-57-39-41-58(42-40-57)44-46-72-74(86-62-30-16-14-28-60(62)84-72)48-50-76-78(90-66-34-20-18-32-64(66)88-76)52-54-80-82(96-56-26-12-10-8-6-4-2)94-70-38-24-22-36-68(70)92-80/h13-24,27-54H,3-12,25-26,55-56H2,1-2H3/b45-43+,46-44+,49-47+,50-48+,53-51+,54-52+

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2 [18 µmol/L], 21 °C), λmax (log ε in M-1cm-1) = 398 (4.89), 321 (4.81) nm.