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3-Propylidenephthalide

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

3-Propylidenephthalide
SpectraBase Compound ID ELWATFRuADs
InChI InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
InChIKey NGSZDVVHIGAMOJ-YHYXMXQVSA-N
Mol Weight 174.2 g/mol
Molecular Formula C11H10O2
Exact Mass 174.06808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BNVBTBgPJX
Name 3-Propylidenephthalide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W295205
CAS Registry Number 17369-59-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O2
InChI InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-
InChIKey NGSZDVVHIGAMOJ-YHYXMXQVSA-N
Observed nucleus 1H
Purity mixture of cis and trans isomers, >=96%, FG
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Propylidene-1(3H)-isobenzofuranone 3-Propylidenephthalimide
Wiley ID SIAL_1HNMR_013008