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1,2,3-Benzotriazine-3(4H)-acetic acid, .alpha.-(hydroxymethyl)-4-oxo-, (S)-
SpectraBase Compound ID KM3idBZXIoA
InChI InChI=1S/C10H9N3O4/c14-5-8(10(16)17)13-9(15)6-3-1-2-4-7(6)11-12-13/h1-4,8,14H,5H2,(H,16,17)/t8-/m0/s1
InChIKey ZYIPLJJFNRRPOV-QMMMGPOBSA-N
Mol Weight 235.2 g/mol
Molecular Formula C10H9N3O4
Exact Mass 235.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MTXtfd9rRg
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, .alpha.-(hydroxymethyl)-4-oxo-, (S)-
CAS Registry Number 102118-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O4
InChI InChI=1S/C10H9N3O4/c14-5-8(10(16)17)13-9(15)6-3-1-2-4-7(6)11-12-13/h1-4,8,14H,5H2,(H,16,17)/t8-/m0/s1
InChIKey ZYIPLJJFNRRPOV-QMMMGPOBSA-N
Molecular Weight 235.199 g/mol
SMILES OC([C@](CO)(N1N=Nc2c(C1=O)cccc2)[H])=O
SPLASH splash10-0ke9-2910000000-143c253e8a01e84e3693
Source of Spectrum H-68-897-6
Synonyms (2S)-3-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid 3-Hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)propionsaure
Wiley ID 1236875