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7-Methylphthalide

View entire compound with spectra: 4 NMR, 1 FTIR, and 2 MS (GC)

7-Methylphthalide
SpectraBase Compound ID Cfm9YTq1TO8
InChI InChI=1S/C9H8O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4H,5H2,1H3
InChIKey QSLQEQHQWZHUEW-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 5JzKqdYWTQ
Name 7-Methylisobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 148.052429496 u
Formula C9H8O2
InChI InChI=1S/C9H8O2/c1-6-3-2-4-7-5-11-9(10)8(6)7/h2-4H,5H2,1H3
InChIKey QSLQEQHQWZHUEW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201606048
Molecular Weight 148.161 g/mol
Quality 138
SMILES CC1=CC=CC2=C1C(OC2)=O
SPLASH splash10-014m-4900000000-df7c97f472f038346635
Source of Spectrum QE-23-SM3-Table 3, Entry 13 (DOI: 10.1002/chem.201606048)
Wiley ID 1905540