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(+-)-Chuangxinol (3-Butyl-4-hydroxy-1(3H)-isobenzofuranone)
SpectraBase Compound ID 2kfZTTWb2G6
InChI InChI=1S/C12H14O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-6,10,13H,2-3,7H2,1H3
InChIKey JQSVHBFDZXZENO-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaoE8HyxEAa
Name (+-)-Chuangxinol (3-Butyl-4-hydroxy-1(3H)-isobenzofuranone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-3-7-10-11-8(12(14)15-10)5-4-6-9(11)13/h4-6,10,13H,2-3,7H2,1H3
InChIKey JQSVHBFDZXZENO-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES Oc1c2c(C(OC2CCCC)=O)ccc1
SPLASH splash10-000i-0900000000-2a5b53f7c7cdfb5ef262
Source of Spectrum F-53-14130-8
Synonyms 3-Butyl-4-hydroxy-2-benzofuran-1(3H)-one 3-Butyl-4-hydroxy-3H-2-benzofuran-1-one 3-Butyl-4-hydroxy-3H-isobenzofuran-1-one 3-Butyl-4-oxidanyl-3H-2-benzofuran-1-one
Wiley ID 804066