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(S)-3-Methylazepin-2-one

View entire compound with spectra: 1 MS (GC)

(S)-3-Methylazepin-2-one
SpectraBase Compound ID DJpefrbyvAw
InChI InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKey FGSUUFDRDVJCLT-LURJTMIESA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtqGxcmxGpi
Name (S)-3-Methylazepin-2-one
Alternate Name(s) (3S)-3-methylhexahydro-2H-azepin-2-one (3S)-3-methyl-2-azepanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO
InChI InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)/t6-/m0/s1
InChIKey FGSUUFDRDVJCLT-LURJTMIESA-N
Molecular Weight 127.187 g/mol
SMILES N1CCCC[C@@](C1=O)(C)[H]
SPLASH splash10-052f-9100000000-de8b6bb2bd7507aee887
Source of Spectrum SO-0-946-4
Wiley ID 873804