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3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enyl]amino]methyl]heptanoic acid
SpectraBase Compound ID AikbPmlUFGz
InChI InChI=1S/C12H21NO4/c1-2-3-5-10(8-12(16)17)9-13-7-4-6-11(14)15/h4,6,10,13H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)/b6-4-
InChIKey CKICDQXIXRSWBY-XQRVVYSFSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXibGxiaq54
Name 3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enyl]amino]methyl]heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-2-3-5-10(8-12(16)17)9-13-7-4-6-11(14)15/h4,6,10,13H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)/b6-4-
InChIKey CKICDQXIXRSWBY-XQRVVYSFSA-N
Molecular Weight 243.303 g/mol
SMILES N(C\C=C/C(=O)O)CC(CC(=O)O)CCCC
SPLASH splash10-0002-9200000000-2844aa3e771c12487956
Source of Spectrum KC-0-1074-29
Synonyms 3-[[[(Z)-3-carboxyprop-2-enyl]amino]methyl]heptanoic acid 3-[[[(Z)-3-carboxyallyl]amino]methyl]heptanoic acid
Wiley ID 781028