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

*Links on SpectraBase are not permalinks.
1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-[(phenylmethoxy)methyl]-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
SpectraBase Compound ID 1oTWj0wZklq
InChI InChI=1S/C16H18O3/c17-16-14-9-5-4-8-13(14)15(19-16)11-18-10-12-6-2-1-3-7-12/h1-7,13-15H,8-11H2/t13-,14+,15+/m1/s1
InChIKey JTFAXWTUJCRAJN-ILXRZTDVSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 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 7VJCQP6zPeS
Name 1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-[(phenylmethoxy)methyl]-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
CAS Registry Number 106795-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c17-16-14-9-5-4-8-13(14)15(19-16)11-18-10-12-6-2-1-3-7-12/h1-7,13-15H,8-11H2/t13-,14+,15+/m1/s1
InChIKey JTFAXWTUJCRAJN-ILXRZTDVSA-N
Molecular Weight 258.317 g/mol
SMILES C1(O[C@@](COCc2ccccc2)([C@]2([C@@]1(CC=CC2)[H])[H])[H])=O
SPLASH splash10-004l-9100000000-2815ae30fc968529e22e
Source of Spectrum F-44-1717-14
Synonyms (1R,6S,7S)-7-Benzyloxymethyl-8-oxabicyclo[4.3.0]non-3-en-9-one (3R,3aR,7aS)-3-[(benzyloxy)methyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1262042