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ZUPHXNBLQCSEIA-CPCISQLKSA-N
SpectraBase Compound ID 1lvXIhXqstH
InChI InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7-,11-/m0/s1
InChIKey ZUPHXNBLQCSEIA-CPCISQLKSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ovgE6KMte7
Name (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate
CAS Registry Number 5070-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7-,11-/m0/s1
InChIKey ZUPHXNBLQCSEIA-CPCISQLKSA-N
Molecular Weight 230.267 g/mol
SMILES [nH]1c2c(c3C[C@@](C(=O)O)(N[C@](c13)(C)[H])[H])cccc2
SPLASH splash10-05o0-0890000000-bc7ac8aea4582fa945de
Source of Spectrum CJ-1992-0-0
Synonyms (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Wiley ID 1231802