For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,2,4-Oxadiazole-5-propanoic acid, 3-(4-amino-1,2,5-oxadiazol-3-yl)-, methyl ester
SpectraBase Compound ID JwdvprLBuhR
InChI InChI=1S/C8H9N5O4/c1-15-5(14)3-2-4-10-8(13-16-4)6-7(9)12-17-11-6/h2-3H2,1H3,(H2,9,12)
InChIKey OPXNAHCKEOOEGA-UHFFFAOYSA-N
Mol Weight 239.19 g/mol
Molecular Formula C8H9N5O4
Exact Mass 239.065454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 25PwspedJ04
Name 1,2,4-Oxadiazole-5-propanoic acid, 3-(4-amino-1,2,5-oxadiazol-3-yl)-, methyl ester
Alternate Name(s) Methyl 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoate 3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid methyl ester Methyl 3-[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N5O4
InChI InChI=1S/C8H9N5O4/c1-15-5(14)3-2-4-10-8(13-16-4)6-7(9)12-17-11-6/h2-3H2,1H3,(H2,9,12)
InChIKey OPXNAHCKEOOEGA-UHFFFAOYSA-N
Molecular Weight 239.191 g/mol
SMILES Nc1c(-c2nc(CCC(=O)OC)on2)non1
SPLASH splash10-0zfr-9510000000-5e9a6c9b9f704f5d0305
Source of Spectrum IY-2-4762-3
Wiley ID 1655606