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(3aS,7R,7aR)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
SpectraBase Compound ID EKgycuAts9
InChI InChI=1S/C14H16O2/c15-14-13-11(9-16-14)7-4-8-12(13)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
InChIKey KFXMVFVBSHFNEF-AGIUHOORSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6VF5RXrz8m
Name (3aS,7R,7aR)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
Alternate Name(s) (3aS,7R,7aR)-7-phenyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c15-14-13-11(9-16-14)7-4-8-12(13)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1
InChIKey KFXMVFVBSHFNEF-AGIUHOORSA-N
Molecular Weight 216.280 g/mol
SMILES C1([C@@]2([C@](c3ccccc3)(CCC[C@@]2(CO1)[H])[H])[H])=O
SPLASH splash10-014l-3970000000-c45d2a2026b5b9ea92f2
Source of Spectrum KC-0-1677-22
Wiley ID 822719