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2H-Azepin-2-one, 1-(1,3-butadienyl)hexahydro-, (E)-
SpectraBase Compound ID 6HGN9jrNXaJ
InChI InChI=1S/C10H15NO/c1-2-3-8-11-9-6-4-5-7-10(11)12/h2-3,8H,1,4-7,9H2/b8-3+
InChIKey QZMDFHSBVVYZKJ-FPYGCLRLSA-N
Mol Weight 165.24 g/mol
Molecular Formula C10H15NO
Exact Mass 165.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANREFzToqhw
Name 2H-Azepin-2-one, 1-(1,3-butadienyl)hexahydro-, (E)-
CAS Registry Number 112682-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO
InChI InChI=1S/C10H15NO/c1-2-3-8-11-9-6-4-5-7-10(11)12/h2-3,8H,1,4-7,9H2/b8-3+
InChIKey QZMDFHSBVVYZKJ-FPYGCLRLSA-N
Molecular Weight 165.236 g/mol
SMILES C1(N(CCCCC1)\C=C\C=C)=O
SPLASH splash10-0016-9000000000-a57ea29bee896ef2a055
Source of Spectrum J-53-1165-7
Synonyms 1-[(1E)-1,3-butadienyl]hexahydro-2H-azepin-2-one N-1,3-butadienyl-1,3,4,5,6,7-hexahydro-2H-azepin-7-one
Wiley ID 1161665