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(+-)-(3S,3aR,7aS)-3-Methyl-1,3,3a,6,7,7a-hexahydroisobenzofuran-1-one
SpectraBase Compound ID Wims7Jzu4s
InChI InChI=1S/C9H12O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2,4,6-8H,3,5H2,1H3/t6-,7-,8-/m0/s1
InChIKey PSPYYERSVRDCAQ-FXQIFTODSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ64puOJDP3
Name (+-)-(3S,3aR,7aS)-3-Methyl-1,3,3a,6,7,7a-hexahydroisobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2,4,6-8H,3,5H2,1H3/t6-,7-,8-/m0/s1
InChIKey PSPYYERSVRDCAQ-FXQIFTODSA-N
Molecular Weight 152.193 g/mol
SMILES C1(O[C@]([C@@]2(C=CCC[C@]12[H])[H])(C)[H])=O
SPLASH splash10-001i-9300000000-b27ccd3522467a4d2795
Source of Spectrum QE-8-748-21
Synonyms (3S,3aR,7aS)-3-methyl-3a,6,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1557180