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5a-Methyl-9-methylene-4,5,5a,6,7,8,9,9a-octahydro-3-benzoxepin-2(1H)-one
SpectraBase Compound ID F16J5v71uBS
InChI InChI=1S/C12H18O2/c1-9-4-3-5-12(2)6-7-14-11(13)8-10(9)12/h10H,1,3-8H2,2H3/t10-,12+/m1/s1
InChIKey ZZABEZVZTYLUCJ-PWSUYJOCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAUpghUfqcI
Name 5a-Methyl-9-methylene-4,5,5a,6,7,8,9,9a-octahydro-3-benzoxepin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-4-3-5-12(2)6-7-14-11(13)8-10(9)12/h10H,1,3-8H2,2H3/t10-,12+/m1/s1
InChIKey ZZABEZVZTYLUCJ-PWSUYJOCSA-N
Molecular Weight 194.274 g/mol
SMILES [C@@]12([C@](CCOC(C2)=O)(CCCC1=C)C)[H]
SPLASH splash10-001l-9300000000-c402bd1f1dfeb3cf9dd5
Source of Spectrum U-1995-237-23
Synonyms (4aR,9aS)-9a-Methyl-4-methylene-octahydro-7-oxa-benzocyclohepten-6-one 5a-methyl-9-methyleneoctahydro-3-benzoxepin-2(1H)-one (5aR,9aS)-9a-methyl-6-methylidene-2,5,5a,7,8,9-hexahydro-1H-benzo[d]oxepin-4-one
Wiley ID 766504