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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 3e0sIW3fb8B
Name 3-[But-1('Z)-enylidene)isobenzo[c]furan-1(3H)-one
CAS Registry Number 72917-31-8
Comments Less than 3 mono-isotopic peaks
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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
Molecular Weight 188.226 g/mol
SMILES C1(O\C(=C/CCC)c2c1cccc2)=O
SPLASH splash10-0a4i-0900000000-7cf206e71ec88645b9b7
Source of Spectrum H1-41-2594-2
Synonyms (Z)-Butylidene-phthalide (3Z)-3-Butylidene-2-benzofuran-1(3H)-one (3Z)-3-butylidene-1-isobenzofuranone 3-Butylidene-3H-isobenzofuran-1-one (Z)-3-Butylidenephthalide (3Z)-3-butylidene-2-benzofuran-1-one (3Z)-3-butylideneisobenzofuran-1-one (3Z)-3-butylidenephthalide 3-Butylidene phthalide Butylidene phthalide 3-Butylidene-1(3H)-isobenzofuranone BDPH Ligusticum lactone n-Butylidene phthalide Phthalide, 3-butylidene- AI3-37306 EINECS 208-991-3 FEMA NO. 3333 NSC 325307
Wiley ID 757373