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4(1H)-Isobenzofuranone, hexahydro-3a,7a-dimethyl-, cis-(.+-.)-
SpectraBase Compound ID EJvn3HWzY9x
InChI InChI=1S/C10H16O2/c1-9-5-3-4-8(11)10(9,2)7-12-6-9/h3-7H2,1-2H3
InChIKey XXCJJVCAEGXXMY-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3fVxCmCUau
Name 4(1H)-Isobenzofuranone, hexahydro-3a,7a-dimethyl-, cis-(.+-.)-
CAS Registry Number 54346-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-9-5-3-4-8(11)10(9,2)7-12-6-9/h3-7H2,1-2H3
InChIKey XXCJJVCAEGXXMY-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES CC12C(C)(CCCC2=O)COC1
SPLASH splash10-0gbc-9500000000-c7dee70630f7b7c19115
Source of Spectrum H-57-52-16
Synonyms 3a,7a-Dimethylhexahydro-2-benzofuran-4(1H)-one 3a,7a-dimethyl-3,5,6,7-tetrahydro-1H-2-benzofuran-4-one 3a,7a-dimethyl-3,5,6,7-tetrahydro-1H-isobenzofuran-4-one 4(1H)-Isobenzofuranone, hexahydro-3a,7a-dimethyl-, cis-(.+/-.)-
Wiley ID 1164683