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4a,7-Epoxy-4aH-benzocyclohepten-9(2H)-one, 1,3,4,7,8,9a-hexahydro-, (4a.alpha.,7.alpha.,9a.beta.)-
SpectraBase Compound ID FdPgBjlnTbu
InChI InChI=1S/C11H14O2/c12-10-7-8-4-6-11(13-8)5-2-1-3-9(10)11/h4,6,8-9H,1-3,5,7H2/t8-,9-,11+/m0/s1
InChIKey PUOQFRXTFVCNAV-ATZCPNFKSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdrxQZV1bBR
Name 4a,7-Epoxy-4aH-benzocyclohepten-9(2H)-one, 1,3,4,7,8,9a-hexahydro-, (4a.alpha.,7.alpha.,9a.beta.)-
CAS Registry Number 92639-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c12-10-7-8-4-6-11(13-8)5-2-1-3-9(10)11/h4,6,8-9H,1-3,5,7H2/t8-,9-,11+/m0/s1
InChIKey PUOQFRXTFVCNAV-ATZCPNFKSA-N
Molecular Weight 178.231 g/mol
SMILES [C@@]123[C@](C(=O)C[C@@](O3)(C=C1)[H])(CCCC2)[H]
SPLASH splash10-08i3-9800000000-379576c94c39485e4f3d
Source of Spectrum K-117-2595-0
Synonyms (1R,6R,9R)-12-oxatricyclo[7.2.1.0(1,6)]dodec-10-en-7-one cis-1,3,4,7,8,9a-hexahydro-4a,7-epoxybenzocyclohepten-9(2H)-one trans-1,3,4,7,8,9a-hexahydro-4a,7-epoxybenzocyclohepten-9(2H)-one
Wiley ID 1174252