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1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-4-triazolecarboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID 5wEGKb1R5Cn
InChI InChI=1S/C16H17N7O3/c1-2-25-16(24)13-12(23(21-18-13)15-14(17)19-26-20-15)9-22-8-7-10-5-3-4-6-11(10)22/h3-6H,2,7-9H2,1H3,(H2,17,19)
InChIKey IDDSWPDSCMTBQT-UHFFFAOYSA-N
Mol Weight 355.36 g/mol
Molecular Formula C16H17N7O3
Exact Mass 355.139287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cjcIAGWrho
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydroindol-1-ylmethyl)-4-triazolecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.139287432 u
Formula C16H17N7O3
InChI InChI=1S/C16H17N7O3/c1-2-25-16(24)13-12(23(21-18-13)15-14(17)19-26-20-15)9-22-8-7-10-5-3-4-6-11(10)22/h3-6H,2,7-9H2,1H3,(H2,17,19)
InChIKey IDDSWPDSCMTBQT-UHFFFAOYSA-N
Molecular Weight 355.358 g/mol
SMILES C=1C=CC=2N(CC=3N(C=4C(=NON4)N)N=NC3C(=O)OCC)CCC2C1