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4,5-Dihydro-4-isopropyl-3-benzoxepin-2(1H)-one
SpectraBase Compound ID 9P89Q4fAcgU
InChI InChI=1S/C13H16O2/c1-9(2)12-7-10-5-3-4-6-11(10)8-13(14)15-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey SKCOHXJUOUMVSX-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 At4YdiT9PqS
Name 4,5-Dihydro-4-isopropyl-3-benzoxepin-2(1H)-one
Alternate Name(s) 4-isopropyl-4,5-dihydro-3-benzoxepin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)12-7-10-5-3-4-6-11(10)8-13(14)15-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey SKCOHXJUOUMVSX-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(OC(Cc2ccccc2C1)C(C)C)=O
SPLASH splash10-0udi-3900000000-f99cdd3c3bd43e2385a5
Source of Spectrum F-51-3362-9
Wiley ID 791270