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Phthalide
SpectraBase Compound ID 1JRs2xwAhA3
InChI InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKey WNZQDUSMALZDQF-UHFFFAOYSA-N
Mol Weight 134.13 g/mol
Molecular Formula C8H6O2
Exact Mass 134.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYzeDPlaNVo
Name 1-Phthalanone
CAS Registry Number 87-41-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 134.036779431 u
Formula C8H6O2
InChI InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKey WNZQDUSMALZDQF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 134.134 g/mol
Nominal Mass 134 u
Quality 884
Retention Index 1020
SMILES C1=2C(=CC=CC2)COC1=O
SPLASH splash10-0pdi-9600000000-5e0ec4f60d99f211ffc3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Isobenzofuranone 2-Benzofuran-1(3H)one
Technique GC/MS
Wiley ID DD2024_021624