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Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID JF3tRcyeoyp
InChI InChI=1S/C12H17N7O3/c1-2-21-12(20)9-8(7-18-5-3-4-6-18)19(17-14-9)11-10(13)15-22-16-11/h2-7H2,1H3,(H2,13,15)
InChIKey SUPJZLDXQBQZKM-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C12H17N7O3
Exact Mass 307.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcRtfBhQmsS
Name Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carboxylate
CAS Registry Number 311314-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N7O3
InChI InChI=1S/C12H17N7O3/c1-2-21-12(20)9-8(7-18-5-3-4-6-18)19(17-14-9)11-10(13)15-22-16-11/h2-7H2,1H3,(H2,13,15)
InChIKey SUPJZLDXQBQZKM-UHFFFAOYSA-N
Molecular Weight 307.314 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CN2CCCC2)non1
SPLASH splash10-001i-9100000000-daa8e521b5633fa25fc0
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-4-triazolecarboxylic acid ethyl ester 1-(4-Amino-furazan-3-yl)-5-pyrrolidin-1-ylmethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester 1-(4-aminofurazan-3-yl)-5-(pyrrolidinomethyl)triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1459640