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5H-4-Oxa-5a-azabenz[cd]azulen-5-one, 1,2,6,7,8,9,9a,9b-octahydro-3-phenyl-, trans-
SpectraBase Compound ID CV72zGnBXnI
InChI InChI=1S/C17H19NO2/c19-17-18-11-5-4-6-12-9-10-14(15(12)18)16(20-17)13-7-2-1-3-8-13/h1-3,7-8,12,15H,4-6,9-11H2/t12-,15+/m1/s1
InChIKey MEKHYTNQAOXUCQ-DOMZBBRYSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PWRd7DbgEy
Name 5H-4-Oxa-5a-azabenz[cd]azulen-5-one, 1,2,6,7,8,9,9a,9b-octahydro-3-phenyl-, trans-
CAS Registry Number 124943-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c19-17-18-11-5-4-6-12-9-10-14(15(12)18)16(20-17)13-7-2-1-3-8-13/h1-3,7-8,12,15H,4-6,9-11H2/t12-,15+/m1/s1
InChIKey MEKHYTNQAOXUCQ-DOMZBBRYSA-N
Molecular Weight 269.344 g/mol
SMILES C12=C(OC(N3[C@]2([C@@](CCCC3)([H])CC1)[H])=O)c1ccccc1
SPLASH splash10-0c00-0690000000-0e56e8e0286b3a169449
Source of Spectrum J-55-1457-71
Synonyms (9aR*,9bS*)-5a-aza-2,5,6,7,8,9,9a,9b-octahydro-5-oxo-4-oxa-3-phenyl-1H-benz[c,d]azulene (9aR,9bS)-3-phenyl-1,2,6,7,8,9,9a,9b-octahydro-4-oxa-5a-azabenzo[cd]azulen-5-one
Wiley ID 1273392