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(3aS,7aR)-1-spiro[3a,4,7,7a-tetrahydroisobenzofuran-3,1'-cyclohexane]one
SpectraBase Compound ID 2elzpc57fTN
InChI InChI=1S/C13H18O2/c14-12-10-6-2-3-7-11(10)13(15-12)8-4-1-5-9-13/h2-3,10-11H,1,4-9H2/t10-,11+/m1/s1
InChIKey GCWBTWZDPJBVNA-MNOVXSKESA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53J5pXmXUYS
Name (3aS,7aR)-1-spiro[3a,4,7,7a-tetrahydroisobenzofuran-3,1'-cyclohexane]one
Alternate Name(s) (3aS,7aR)-spiro[3a,4,7,7a-tetrahydro-2-benzofuran-3,1'-cyclohexane]-1-one (3aS,7aR)-spiro[3a,4,7,7a-tetrahydroisobenzofuran-3,1'-cyclohexane]-1-one
CAS Registry Number 74279-82-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c14-12-10-6-2-3-7-11(10)13(15-12)8-4-1-5-9-13/h2-3,10-11H,1,4-9H2/t10-,11+/m1/s1
InChIKey GCWBTWZDPJBVNA-MNOVXSKESA-N
Molecular Weight 206.285 g/mol
SMILES C1(OC2(CCCCC2)[C@@]2([C@]1(CC=CC2)[H])[H])=O
SPLASH splash10-0bt9-2950000000-00dfb564c46394c68c1a
Source of Spectrum J-46-3096-0
Wiley ID 1204680