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(E)-3-Isobutylidenephthalide
SpectraBase Compound ID JoeYHnrCvb7
InChI InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
InChIKey LYSNVWBBICAAMS-YRNVUSSQSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfzGKhx7Yjt
Name Phthalide <3-isobutylidene->
Source of Sample SAFC Cat.no. W227102
CAS Registry Number 88542-70-5
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 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h3-8H,1-2H3/b11-7+
InChIKey LYSNVWBBICAAMS-YRNVUSSQSA-N
Molecular Weight 188.226 g/mol
Number of Peaks 41
RI1 1722
RI2 1397
SMILES C1(O\C(c2ccccc12)=C/C(C)C)=O
SPLASH splash10-0a4i-8900000000-1437bafd29fd7c40359c
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-(2-methylpropylidene)-
Wiley ID LM_FFNSC3_1046