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cis-3-Benzyl-3,4-dihydro-3,4-dihydroxy-1-methylquinolin-2(1H)-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

cis-3-Benzyl-3,4-dihydro-3,4-dihydroxy-1-methylquinolin-2(1H)-one
SpectraBase Compound ID H45VYoapxqO
InChI InChI=1S/C17H17NO3/c1-18-14-10-6-5-9-13(14)15(19)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,15,19,21H,11H2,1H3/t15-,17-/m1/s1
InChIKey XVSXBCYDTXUQGG-NVXWUHKLSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UOTwo3krKd
Name cis-3-Benzyl-3,4-dihydro-3,4-dihydroxy-1-methylquinolin-2(1H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.120843408 u
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-18-14-10-6-5-9-13(14)15(19)17(21,16(18)20)11-12-7-3-2-4-8-12/h2-10,15,19,21H,11H2,1H3/t15-,17-/m1/s1
InChIKey XVSXBCYDTXUQGG-NVXWUHKLSA-N
SMILES C=12N(C([C@@]([C@@](C1C=CC=C2)(O)[H])(O)CC1=CC=CC=C1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831845