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VHVOLFRBFDOUSH-NSCUHMNNSA-N

View entire compound with spectra: 19 NMR, 3 FTIR, 17 MS (GC), 2 Near IR, and 3 MS (LC)

VHVOLFRBFDOUSH-NSCUHMNNSA-N
SpectraBase Compound ID GgefQ0h6GTN
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKey VHVOLFRBFDOUSH-NSCUHMNNSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Elq19Quprb8
Name Isosafrol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 329606
CAS Registry Number 120-58-1
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI 1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
InChIKey VHVOLFRBFDOUSH-NSCUHMNNSA-N
Molecular Weight 162.190 g/mol
Purity 97%, MIXTURE OF ISOMERS
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,2-Methylenedioxy-4-propenylbenzene; Isosafrole
Wiley ID SIAL_VP-FTIR_003663