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(-)-trans-5(S),7(R)-Hexahydro-5-(3-methoxyphenyl)-5,7-dimethyl-2H-azepine-2-one
SpectraBase Compound ID IYqorO1gAHU
InChI InChI=1S/C15H21NO2/c1-11-10-15(2,8-7-14(17)16-11)12-5-4-6-13(9-12)18-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,17)/t11?,15-/m0/s1
InChIKey UIMIGCZQUJEMRY-MHTVFEQDSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfK7tFS9POT
Name (-)-trans-5(S),7(R)-Hexahydro-5-(3-methoxyphenyl)-5,7-dimethyl-2H-azepine-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11-10-15(2,8-7-14(17)16-11)12-5-4-6-13(9-12)18-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,17)/t11?,15-/m0/s1
InChIKey UIMIGCZQUJEMRY-MHTVFEQDSA-N
Molecular Weight 247.338 g/mol
SMILES N1C(CC[C@@](CC1C)(c1cc(OC)ccc1)C)=O
SPLASH splash10-0002-9230000000-020192d9d0a5ee1da9dd
Source of Spectrum F-47-4206-15
Synonyms (5S)-5-(3-methoxyphenyl)-5,7-dimethylhexahydro-2H-azepin-2-one
Wiley ID 1250170