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BXAHGSPNVLQIJJ-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 3 MS (GC)

BXAHGSPNVLQIJJ-UHFFFAOYSA-N
SpectraBase Compound ID E9zy4NiIqE1
InChI InChI=1S/C9H8O2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2-4H,5H2,1H3
InChIKey BXAHGSPNVLQIJJ-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XKsfR8NacI
Name 1(3H)-Isobenzofuranone, 5-methyl-
Alternate Name(s) 5-Methyl-2-benzofuran-1(3H)-one 5-Methyl-1(3H)-isobenzofuranone 5-Methyl-3H-2-benzofuran-1-one 5-Methylphthalide 5-Methyl-3H-isobenzofuran-1-one 5-Methylisobenzofuran-1(3H)-one
CAS Registry Number 54120-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2
InChI InChI=1S/C9H8O2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2-4H,5H2,1H3
InChIKey BXAHGSPNVLQIJJ-UHFFFAOYSA-N
Molecular Weight 148.161 g/mol
SMILES Cc1ccc2c(c1)COC2=O
SPLASH splash10-014m-3900000000-5025785edef060dc252e
Source of Spectrum AH-127-208-4
Wiley ID 1145492