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 |