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3-n-Butylphthalide
SpectraBase Compound ID CEHn50Gmk4x
InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChIKey HJXMNVQARNZTEE-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgaZB7yqE59
Name 3-n-Butylphthalide
CAS Registry Number 6066-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChIKey HJXMNVQARNZTEE-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES C1(OC(CCCC)c2c1cccc2)=O
SPLASH splash10-001i-0900000000-58f3e84b96767ae679e8
Source of Spectrum MG-201-0-0
Synonyms 3-Butyl-1,3-dihydro-1-isobenzofuranone 1(3H)-Isobenzofuranone, 3-butyl- 3-Butyl-1(3H)-isobenzofuranone 3-Butylisobenzofuran-1(3H)-one 3-Butyl-3H-2-benzofuran-1-one 3-Butyl-3H-isobenzofuran-1-one Phthalide, 3-butyl- 3-Butylphthalide CCRIS 7107 EINECS 228-000-8 FEMA NO. 3334
Wiley ID 1186679