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1,2,3-Benzotriazine-3(4H)-acetic acid, .alpha.-(2-methylpropyl)-4-oxo-, (S)-
SpectraBase Compound ID D57YV1Qr8FY
InChI InChI=1S/C13H15N3O3/c1-8(2)7-11(13(18)19)16-12(17)9-5-3-4-6-10(9)14-15-16/h3-6,8,11H,7H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKey OLGLIOUUPKASQT-NSHDSACASA-N
Mol Weight 261.28 g/mol
Molecular Formula C13H15N3O3
Exact Mass 261.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aeJU40Qw3g
Name 1,2,3-Benzotriazine-3(4H)-acetic acid, .alpha.-(2-methylpropyl)-4-oxo-, (S)-
CAS Registry Number 102118-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O3
InChI InChI=1S/C13H15N3O3/c1-8(2)7-11(13(18)19)16-12(17)9-5-3-4-6-10(9)14-15-16/h3-6,8,11H,7H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKey OLGLIOUUPKASQT-NSHDSACASA-N
Molecular Weight 261.281 g/mol
SMILES OC([C@@](N1N=Nc2c(C1=O)cccc2)(CC(C)C)[H])=O
SPLASH splash10-0acc-0900000000-b0f69d790a30ddb71244
Source of Spectrum H-68-898-6
Synonyms (2S)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)pentanoic acid 2-(4-oxo-1,2,3-benzotriazin-3-yl)-4-methylpentansaure
Wiley ID 1264645