For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aR,7S,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
SpectraBase Compound ID 76siYK6gwq9
InChI InChI=1S/C15H18O3/c16-10-15-12(9-18-14(15)17)7-4-8-13(15)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13-,15+/m0/s1
InChIKey NQXYLDSYVCZXJS-KCQAQPDRSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AX2zSf95AYD
Name (3aR,7S,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c16-10-15-12(9-18-14(15)17)7-4-8-13(15)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13-,15+/m0/s1
InChIKey NQXYLDSYVCZXJS-KCQAQPDRSA-N
Molecular Weight 246.306 g/mol
SMILES OC[C@]12C(OC[C@@]2(CCC[C@]1(c1ccccc1)[H])[H])=O
SPLASH splash10-00mo-5970000000-c7aca8202563bb88a11b
Source of Spectrum KC-0-1677-29
Synonyms (3aR,7S,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one (3aR,7S,7aS)-7a-methylol-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one
Wiley ID 822714