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Butanoic acid, 4-[[2-(6-formyl-1,3-benzodioxol-5-yl)ethyl]amino]-4-oxo-, methyl ester
SpectraBase Compound ID 58DwTGeDY7F
InChI InChI=1S/C15H17NO6/c1-20-15(19)3-2-14(18)16-5-4-10-6-12-13(22-9-21-12)7-11(10)8-17/h6-8H,2-5,9H2,1H3,(H,16,18)
InChIKey MJXIWGOPFWQBCV-UHFFFAOYSA-N
Mol Weight 307.3 g/mol
Molecular Formula C15H17NO6
Exact Mass 307.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FR5hgOV3v64
Name Butanoic acid, 4-[[2-(6-formyl-1,3-benzodioxol-5-yl)ethyl]amino]-4-oxo-, methyl ester
CAS Registry Number 124021-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO6
InChI InChI=1S/C15H17NO6/c1-20-15(19)3-2-14(18)16-5-4-10-6-12-13(22-9-21-12)7-11(10)8-17/h6-8H,2-5,9H2,1H3,(H,16,18)
InChIKey MJXIWGOPFWQBCV-UHFFFAOYSA-N
Molecular Weight 307.302 g/mol
SMILES N(C(=O)CCC(=O)OC)CCc1c(C=O)cc2c(c1)OCO2
SPLASH splash10-004i-0900000000-3f8075756534793ae4b3
Source of Spectrum J-55-834-7
Synonyms Methyl 4-{[2-(6-formyl-1,3-benzodioxol-5-yl)ethyl]amino}-4-oxobutanoate
Wiley ID 1308879