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(S,Z)-2-(3-Isopropyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-ylidene)acetic Acid
SpectraBase Compound ID 1gGdpSrLxp2
InChI InChI=1S/C14H15NO3/c1-8(2)13-11(7-12(16)17)9-5-3-4-6-10(9)14(18)15-13/h3-8,13H,1-2H3,(H,15,18)(H,16,17)/b11-7-/t13-/m0/s1
InChIKey YJIMBNSARFBZHI-YLBKJLTLSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RysViFeFLH
Name (S,Z)-2-(3-Isopropyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-ylidene)acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-8(2)13-11(7-12(16)17)9-5-3-4-6-10(9)14(18)15-13/h3-8,13H,1-2H3,(H,15,18)(H,16,17)/b11-7-/t13-/m0/s1
InChIKey YJIMBNSARFBZHI-YLBKJLTLSA-N
Literature Reference DOI 10.1002_1615-4169(200209)344_8_855
Molecular Weight 245.278 g/mol
SMILES N1[C@](\C(=C/C(=O)O)c2ccccc2C1=O)(C(C)C)[H]
SPLASH splash10-0udi-0390000000-0ed67496305bf737cba0
Source of Spectrum ASC-344-859-5
Synonyms (S,Z)-2-(3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4(1H)-ylidene)acetic acid (2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetic acid (2Z)-2-[(3S)-3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid (2Z)-2-[(3S)-1-oxidanylidene-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethanoic acid
Wiley ID 1767325