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(S,Z)-2-(3-Methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-ylidene)acetic Acid
SpectraBase Compound ID 5KUkHEau17U
InChI InChI=1S/C12H11NO3/c1-7-10(6-11(14)15)8-4-2-3-5-9(8)12(16)13-7/h2-7H,1H3,(H,13,16)(H,14,15)/b10-6+/t7-/m0/s1
InChIKey PNTGCOMDXAGZCP-FSEMZKDTSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gw9GelcPGho
Name (S,Z)-2-(3-Methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-ylidene)acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-7-10(6-11(14)15)8-4-2-3-5-9(8)12(16)13-7/h2-7H,1H3,(H,13,16)(H,14,15)/b10-6+/t7-/m0/s1
InChIKey PNTGCOMDXAGZCP-FSEMZKDTSA-N
Literature Reference DOI 10.1002_1615-4169(200209)344_8_855
Molecular Weight 217.224 g/mol
SMILES N1[C@](\C(=C/C(O)=O)c2ccccc2C1=O)(C)[H]
SPLASH splash10-00xr-0960000000-b53d526dc7addc1b2b3a
Source of Spectrum ASC-344-859-4
Synonyms (S,Z)-2-(3-methyl-1-oxo-2,3-dihydroisoquinolin-4(1H)-ylidene)acetic acid
Wiley ID 1767324