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2-Benzoxepin, 1,5-dihydro-3,5,5-trimethyl-
SpectraBase Compound ID LYqb5Dv0iO8
InChI InChI=1S/C13H16O/c1-10-8-13(2,3)12-7-5-4-6-11(12)9-14-10/h4-8H,9H2,1-3H3
InChIKey KPTVYURLECQRAR-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO6fsJvgZwt
Name 2-Benzoxepin, 1,5-dihydro-3,5,5-trimethyl-
Alternate Name(s) 1,5-Dihydro-3,5,5-trimethyl-2-benzoxepine 3,5,5-trimethyl-1,5-dihydro-2-benzoxepin
CAS Registry Number 56640-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-10-8-13(2,3)12-7-5-4-6-11(12)9-14-10/h4-8H,9H2,1-3H3
InChIKey KPTVYURLECQRAR-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C1(C=C(OCc2c1cccc2)C)(C)C
SPLASH splash10-00e9-1900000000-acd4108ca42147fd62ac
Source of Spectrum AC-1975-791-0
Wiley ID 1185127