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(-)-trans-5(S),7(R)-Hexahydro-5-(3-methoxyphenyl)-1,5,7-trimethyl-2H-azepine-2-one
SpectraBase Compound ID JJUChMrmxnp
InChI InChI=1S/C16H23NO2/c1-12-11-16(2,9-8-15(18)17(12)3)13-6-5-7-14(10-13)19-4/h5-7,10,12H,8-9,11H2,1-4H3/t12-,16+/m1/s1
InChIKey HVPDOKGCUXXCQM-WBMJQRKESA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Am5SbcmyvV
Name (-)-trans-5(S),7(R)-Hexahydro-5-(3-methoxyphenyl)-1,5,7-trimethyl-2H-azepine-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-12-11-16(2,9-8-15(18)17(12)3)13-6-5-7-14(10-13)19-4/h5-7,10,12H,8-9,11H2,1-4H3/t12-,16+/m1/s1
InChIKey HVPDOKGCUXXCQM-WBMJQRKESA-N
Molecular Weight 261.365 g/mol
SMILES C1(N([C@@](C[C@](CC1)(c1cc(OC)ccc1)C)(C)[H])C)=O
SPLASH splash10-03di-0900000000-b069f69798cf9500caf9
Source of Spectrum F-47-4206-15
Synonyms (5S,7R)-5-(3-methoxyphenyl)-1,5,7-trimethylhexahydro-2H-azepin-2-one
Wiley ID 1264959