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9-Methyl-7-phenoxy-5,9-dihydro-5,9-epoxy-6H-benzocyclohepten-6-one
SpectraBase Compound ID CEIcZlJSTAt
InChI InChI=1S/C18H14O3/c1-18-11-15(20-12-7-3-2-4-8-12)16(19)17(21-18)13-9-5-6-10-14(13)18/h2-11,17H,1H3/t17-,18-/m0/s1
InChIKey WAHDIHJDKVSTHH-ROUUACIJSA-N
Mol Weight 278.31 g/mol
Molecular Formula C18H14O3
Exact Mass 278.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6M3SlBO7va
Name 9-Methyl-7-phenoxy-5,9-dihydro-5,9-epoxy-6H-benzocyclohepten-6-one
Alternate Name(s) 1-methyl-10-phenoxy-12-oxatricyclo[6.3.1.0(2,7)]dodeca-2,4,6,10-tetraen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O3
InChI InChI=1S/C18H14O3/c1-18-11-15(20-12-7-3-2-4-8-12)16(19)17(21-18)13-9-5-6-10-14(13)18/h2-11,17H,1H3/t17-,18-/m0/s1
InChIKey WAHDIHJDKVSTHH-ROUUACIJSA-N
Molecular Weight 278.307 g/mol
SMILES [C@@]12(O[C@@](c3c2cccc3)(C(C(=C1)Oc1ccccc1)=O)[H])C
SPLASH splash10-0udi-0090000000-2de3526349e1acad6067
Source of Spectrum JA-50-751-2
Wiley ID 1282378