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2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid
SpectraBase Compound ID 9qWQeJJDOVD
InChI InChI=1S/C12H19N3O3/c16-11-4-2-1-3-9(11)15-10(12(17)18)5-8-6-13-14-7-8/h6-7,9-11,15-16H,1-5H2,(H,13,14)(H,17,18)/t9-,10?,11-/m0/s1
InChIKey DRDXYHNSJSSUHM-JRUYECLLSA-N
Mol Weight 253.3 g/mol
Molecular Formula C12H19N3O3
Exact Mass 253.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H06ytws947k
Name 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19N3O3
InChI InChI=1S/C12H19N3O3/c16-11-4-2-1-3-9(11)15-10(12(17)18)5-8-6-13-14-7-8/h6-7,9-11,15-16H,1-5H2,(H,13,14)(H,17,18)/t9-,10?,11-/m0/s1
InChIKey DRDXYHNSJSSUHM-JRUYECLLSA-N
Molecular Weight 253.302 g/mol
SMILES N(C(Cc1c[nH]nc1)C(=O)O)[C@@]1([C@](CCCC1)(O)[H])[H]
SPLASH splash10-001i-9100000000-cd479d4a259e2c6552a0
Source of Spectrum AD-0-2532-0
Synonyms 2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-pyrazol-4-yl)propionic acid 2-[[(1S,2S)-2-oxidanylcyclohexyl]amino]-3-(1H-pyrazol-4-yl)propanoic acid
Wiley ID 1430497