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(9aR*,3S*,2aS*,9bS*)-5a-aza-2,2a,3,5,6,7,8,9,9a,9b-decahydro-5-oxo-4-oxa-3-phenyl-1H-benz[c,d]azulene
SpectraBase Compound ID EKWz93WRHXU
InChI InChI=1S/C17H21NO2/c19-17-18-11-5-4-6-12-9-10-14(15(12)18)16(20-17)13-7-2-1-3-8-13/h1-3,7-8,12,14-16H,4-6,9-11H2/t12-,14+,15+,16-/m1/s1
InChIKey NRXVZCOZMBYFJM-SYAUCNOPSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IR3SxDDGvAP
Name (9aR*,3S*,2aS*,9bS*)-5a-aza-2,2a,3,5,6,7,8,9,9a,9b-decahydro-5-oxo-4-oxa-3-phenyl-1H-benz[c,d]azulene
CAS Registry Number 124944-01-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c19-17-18-11-5-4-6-12-9-10-14(15(12)18)16(20-17)13-7-2-1-3-8-13/h1-3,7-8,12,14-16H,4-6,9-11H2/t12-,14+,15+,16-/m1/s1
InChIKey NRXVZCOZMBYFJM-SYAUCNOPSA-N
Molecular Weight 271.360 g/mol
SMILES C1(N2[C@]3([C@@](CC[C@@]3([C@](O1)(c1ccccc1)[H])[H])(CCCC2)[H])[H])=O
SPLASH splash10-004i-0090000000-d8d813e52d52a196baf6
Source of Spectrum J-55-1458-77
Synonyms (3R*,2aS*,9bS*)-5a-aza-2,2a,3,5,6,7,8,8,8a,9b-decahydro-5-oxo-4-oxa-3-phenyl-1H-benz[c,d]azulene (2aS,3S,9aR,9bS)-3-phenyldecahydro-4-oxa-5a-azabenzo[cd]azulen-5-one
Wiley ID 1275438