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1(3H)-Isobenzofuranone, 3a,4,5,6-tetrahydro-3-phenyl-, cis-
SpectraBase Compound ID 2LUDSyjtXYO
InChI InChI=1S/C14H14O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2/t11-,13+/m0/s1
InChIKey JANHCJFBFHGQRG-WCQYABFASA-N
Mol Weight 214.26 g/mol
Molecular Formula C14H14O2
Exact Mass 214.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmhmLHb4yfx
Name 1(3H)-Isobenzofuranone, 3a,4,5,6-tetrahydro-3-phenyl-, cis-
CAS Registry Number 96759-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O2
InChI InChI=1S/C14H14O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,9,11,13H,4-5,8H2/t11-,13+/m0/s1
InChIKey JANHCJFBFHGQRG-WCQYABFASA-N
Molecular Weight 214.264 g/mol
SMILES C1(O[C@](c2ccccc2)([C@@]2(C1=CCCC2)[H])[H])=O
SPLASH splash10-0a6r-7900000000-180382ad6366e25bd06c
Source of Spectrum C-107-4754-0
Synonyms (3S,3aS)-3-phenyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one 3-Phenyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranones
Wiley ID 1213973