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1(3H)-Isobenzofuranone, hexahydro-3-(1-methylethyl)-, (3.alpha.,3a.alpha.,7a.beta.)-
SpectraBase Compound ID Cn8vZ4EIWgs
InChI InChI=1S/C11H18O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h7-10H,3-6H2,1-2H3/t8-,9-,10+/m0/s1
InChIKey NBCBWVJFCHWGOZ-LPEHRKFASA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yRuzYnvGYe
Name 1(3H)-Isobenzofuranone, hexahydro-3-(1-methylethyl)-, (3.alpha.,3a.alpha.,7a.beta.)-
Alternate Name(s) 3-isopropyl-3a,4,5,6,7,7a-hexahydro-(3H)-isobenzofuran-1-one (3R,3aS,7aS)-3-isopropylhexahydro-2-benzofuran-1(3H)-one trans (3,3a)-3-isopropyl-cis(3a,7a)-3a,4,5,7,7a(3) isobenzofuran-1-one
CAS Registry Number 103421-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)10-8-5-3-4-6-9(8)11(12)13-10/h7-10H,3-6H2,1-2H3/t8-,9-,10+/m0/s1
InChIKey NBCBWVJFCHWGOZ-LPEHRKFASA-N
Molecular Weight 182.263 g/mol
SMILES C1(O[C@@]([C@]2(CCCC[C@]12[H])[H])(C(C)C)[H])=O
SPLASH splash10-02ti-8900000000-fb0f0e786463f4a56886
Source of Spectrum F-41-3704-27
Wiley ID 1178773