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(3E)-3-propylidene-1-isobenzofuranone
SpectraBase Compound ID HC3Sr9Qn1YO
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-BJMVGYQFSA-N
Mol Weight 174.2 g/mol
Molecular Formula C11H10O2
Exact Mass 174.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXOKXJ3Wrjk
Name Phthalide <3-propylidene->
Source of Sample SAFC Cat.no. W295205
CAS Registry Number 17369-59-4
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 174.068079560 u
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-BJMVGYQFSA-N
Molecular Weight 174.199 g/mol
Number of Peaks 50
RI1 1613
RI2 1291
RI3 1792
RI4 1758
SMILES C1(=O)O\C(c2ccccc12)=C/CC
SPLASH splash10-0zi0-4900000000-75bf9042c88c253b2282
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1(3H)-Isobenzofuranone, 3-propylidene-
Wiley ID LM_FFNSC3_491