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5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolecarboxylic acid ethyl ester
SpectraBase Compound ID 9iDKFVW0Vuf
InChI InChI=1S/C13H18N4O3/c1-3-20-12(19)11-7-10(5-4-6-18)17(9(11)2)13-14-8-15-16-13/h7-8,18H,3-6H2,1-2H3,(H,14,15,16)
InChIKey HKDSYEPMYAPPOC-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C13H18N4O3
Exact Mass 278.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAWIVSaGLQc
Name 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4O3
InChI InChI=1S/C13H18N4O3/c1-3-20-12(19)11-7-10(5-4-6-18)17(9(11)2)13-14-8-15-16-13/h7-8,18H,3-6H2,1-2H3,(H,14,15,16)
InChIKey HKDSYEPMYAPPOC-UHFFFAOYSA-N
Molecular Weight 278.312 g/mol
SMILES [nH]1cnnc1-[n]1c(c(cc1CCCO)C(=O)OCC)C
SPLASH splash10-053r-5690000000-dd8f4e24462ed1d8303d
Source of Spectrum AD-0-2532-0
Synonyms 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylic acid ethyl ester Ethyl 2-methyl-5-(3-oxidanylpropyl)-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate Ethyl 5-(3-hydroxypropyl)-2-methyl-1-(1H-1,2,4-triazol-5-yl)pyrrole-3-carboxylate Ethyl 5-(3-hydroxypropyl)-2-methyl-1-(4H-1,2,4-triazol-3-yl)-1H-pyrrole-3-carboxylate Pyrrole-3-carboxylic acid, 5-(3-hydroxypropyl)-2-methyl-5-(1,2,4(4H)-triazol-3-yl)-, ethyl ester
Wiley ID 1420215