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3,4-Dihydro-2H-benzo[b]oxepin-5-one
SpectraBase Compound ID Inqmz6PirNL
InChI InChI=1S/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
InChIKey KNTMEDNZPJADJU-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65KPIhmTYqf
Name 3,4-Dihydro-2H-benzo[b]oxepin-5-one
Alternate Name(s) 3,4-Dihydrobenzo[b]oxepin-5(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI InChI=1S/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
InChIKey KNTMEDNZPJADJU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200500025
Molecular Weight 162.188 g/mol
SMILES c12OCCCC(c2cccc1)=O
SPLASH splash10-03e9-1900000000-f10f2e045b7d676f1910
Source of Spectrum QA-52-163-4
Wiley ID 1796059