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1(3H)-Isobenzofuranone, hexahydro-7,7-dimethyl-, cis-(.+-.)-
SpectraBase Compound ID N6MukiioFH
InChI InChI=1S/C10H16O2/c1-10(2)5-3-4-7-6-12-9(11)8(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey IHLMBUUAYFGLGS-HTQZYQBOSA-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 izigIvSOfP
Name 1(3H)-Isobenzofuranone, hexahydro-7,7-dimethyl-, cis-(.+-.)-
Alternate Name(s) (3aS,7aS)-7,7-dimethylhexahydro-2-benzofuran-1(3H)-one cis-(3aRS,7aSR)-7,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1(3H)-isobenzofuranone
CAS Registry Number 122203-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-10(2)5-3-4-7-6-12-9(11)8(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey IHLMBUUAYFGLGS-HTQZYQBOSA-N
Molecular Weight 168.236 g/mol
SMILES C1(OC[C@@]2([C@]1(C(CCC2)(C)C)[H])[H])=O
SPLASH splash10-0a4i-9800000000-7a0ebb9cd6b61bc3aff3
Source of Spectrum H-71-1593-0
Wiley ID 1164839