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4-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3,5-dimethoxy-benzyl)butyric acid methyl ester
SpectraBase Compound ID CxwAt2VtgHv
InChI InChI=1S/C21H24O7/c1-24-18-10-14(11-19(25-2)20(18)22)8-15(21(23)26-3)6-4-13-5-7-16-17(9-13)28-12-27-16/h5,7,9-11,15,22H,4,6,8,12H2,1-3H3
InChIKey NCYVMEVFJKUBOH-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cp63esTWhX
Name 4-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-3,5-dimethoxy-benzyl)butyric acid methyl ester
CAS Registry Number 119030-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-24-18-10-14(11-19(25-2)20(18)22)8-15(21(23)26-3)6-4-13-5-7-16-17(9-13)28-12-27-16/h5,7,9-11,15,22H,4,6,8,12H2,1-3H3
InChIKey NCYVMEVFJKUBOH-UHFFFAOYSA-N
Molecular Weight 388.416 g/mol
SMILES Oc1c(cc(cc1OC)CC(C(=O)OC)CCc1cc2OCOc2cc1)OC
SPLASH splash10-014i-0902000000-deefd5be04321054c0be
Source of Spectrum B-41-928-6
Synonyms 4-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butanoic acid methyl ester Methyl 4-(1,3-benzodioxol-5-yl)-2-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]butanoate Methyl 4-(1,3-benzodioxol-5-yl)-2-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]butanoate
Wiley ID 1363778