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3-benzylphthalide

View entire compound with spectra: 8 NMR, 2 FTIR, 1 UV-Vis, and 2 MS (GC)

3-benzylphthalide
SpectraBase Compound ID GRyro3cokQl
InChI InChI=1S/C15H12O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey VQXCRJICWWMTJH-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C15H12O2
Exact Mass 224.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Drrn9Bi0uK7
Name 3-(phenylmethyl)-3H-2-benzofuran-1-one
Alternate Name(s) 3-(phenylmethyl)-3H-isobenzofuran-1-one 3-benzyl-2-benzofuran-1(3H)-one 3-benzyl-3H-2-benzofuran-1-one 3-benzyl-3H-isobenzofuran-1-one 3-Benzylphthalide EINECS 230-292-7
CAS Registry Number 7011-98-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12O2
InChI InChI=1S/C15H12O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey VQXCRJICWWMTJH-UHFFFAOYSA-N
Molecular Weight 224.259 g/mol
SMILES C1(OC(Cc2ccccc2)c2c1cccc2)=O
SPLASH splash10-001i-0920000000-4060b83eecf2b82b31ea
Source of Spectrum F-44-2909-16
Wiley ID 1225801