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Z-Butylidenephthalide
SpectraBase Compound ID Geg5iY4A0NP
InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChIKey WMBOCUXXNSOQHM-FLIBITNWSA-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 LUsoGmkY6Hl
Name Butylidenephthalide
CAS Registry Number 72917-31-8
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
InChIKey WMBOCUXXNSOQHM-FLIBITNWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 188.226 g/mol
Nominal Mass 188 u
Quality 908
Retention Index 1408
SMILES C=12C(C(O\C2=C\CCC)=O)=CC=CC1
SPLASH splash10-0a4i-2900000000-df538ad81fa5921e4524
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Butylidene-2-benzofuran-1(3H)one
Technique GC/MS
Wiley ID DD2024_022316