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N-(2,7-dihydrodinaphtho[2,1-c:1',2'-e]azepenyl]-N'-triphenylmethylurea
SpectraBase Compound ID LYCLimLnFuE
InChI InChI=1S/C42H32N2O/c45-41(43-42(36-18-4-1-5-19-36,37-20-6-2-7-21-37)38-22-8-3-9-23-38)44-28-34-24-30-14-10-12-16-32(30)26-39(34)40-27-33-17-13-11-15-31(33)25-35(40)29-44/h1-27H,28-29H2,(H,43,45)
InChIKey XZENCDILHUTQGI-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C42H32N2O
Exact Mass 580.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5js9hJpP912
Name N-(2,7-dihydrodinaphtho[2,1-c:1',2'-e]azepenyl]-N'-triphenylmethylurea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H32N2O
InChI InChI=1S/C42H32N2O/c45-41(43-42(36-18-4-1-5-19-36,37-20-6-2-7-21-37)38-22-8-3-9-23-38)44-28-34-24-30-14-10-12-16-32(30)26-39(34)40-27-33-17-13-11-15-31(33)25-35(40)29-44/h1-27H,28-29H2,(H,43,45)
InChIKey XZENCDILHUTQGI-UHFFFAOYSA-N
Molecular Weight 580.731 g/mol
SMILES N(C(N1Cc2c(cc3c(c2)cccc3)-c2c(C1)cc1c(cccc1)c2)=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0aor-1190000000-897f81db71e00387e0ae
Source of Spectrum F-51-7898-12
Wiley ID 792666