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3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID HEMIHYDRATE
SpectraBase Compound ID 5VH3fQG9Yxv
InChI InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2
InChIKey AGJCUQSNRFXRDU-UHFFFAOYSA-N
Mol Weight 144.09 g/mol
Molecular Formula C3H4N4O3
Exact Mass 144.02834 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BBq431Ulj0R
Name 3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID, HEMIHYDRATE
Source of Sample Polysciences, Inc., Warrington, Pennsylvania
Classification AMINES; CARBOXYLIC ACIDS
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula (C3H4N4O2)2 + 0.5 (H2O)
InChI InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2
InChIKey AGJCUQSNRFXRDU-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS 175C with Raman accessory
Melting Point 182C
Molecular Weight 137.10 + 9.01
Raman Corrections Referenced to internal white light source; Baseline subtracted
Raman Laser Source Nd:YAG
Synonyms AMINOTRIAZOLE CARBOXYLIC ACID, HEMIHYDRATE
Technique FT-Raman