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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 E3EFOKhRFCp
Name Z-Butylidenephthalide
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
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
Instrument Name Agilent 6890N GC-Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800332
Molecular Weight 188.226 g/mol
Quality 281
SMILES C1=CC=CC2=C1C(O\C2=C\CCC)=O
SPLASH splash10-0a4i-0900000000-6fc42597d331c795781c
Source of Spectrum SEP-31-3235-Peak no. 2 (DOI: 10.1002/jssc.200800332)
Wiley ID 1907965