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7-isopropyl-4,5-dihydro-1-benzoxepin-3-one
SpectraBase Compound ID LbqSeYMPTxK
InChI InChI=1S/C13H16O2/c1-9(2)10-4-6-13-11(7-10)3-5-12(14)8-15-13/h4,6-7,9H,3,5,8H2,1-2H3
InChIKey DZANELFYGFOGTB-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlMPRz1lwR1
Name 7-isopropyl-4,5-dihydro-1-benzoxepin-3-one
Alternate Name(s) 7-Propan-2-yl-4,5-dihydro-1-benzoxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)10-4-6-13-11(7-10)3-5-12(14)8-15-13/h4,6-7,9H,3,5,8H2,1-2H3
InChIKey DZANELFYGFOGTB-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1Oc2c(CCC1=O)cc(cc2)C(C)C
SPLASH splash10-000i-0920000000-26de4e2b72b0c9a227c3
Source of Spectrum H-90-1262-10
Wiley ID 1590800