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(3Z)-4-[1'-(2"-Oxopropyl)isoquinolin-2(1H)-yl]but-3-en-2-one
SpectraBase Compound ID EL3l2PqMRNP
InChI InChI=1S/C16H17NO2/c1-12(18)7-9-17-10-8-14-5-3-4-6-15(14)16(17)11-13(2)19/h3-10,16H,11H2,1-2H3/b9-7-
InChIKey TVQTWYLFSRJVOO-CLFYSBASSA-N
Mol Weight 255.32 g/mol
Molecular Formula C16H17NO2
Exact Mass 255.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XPvtPwqDOV
Name (3Z)-4-[1'-(2"-Oxopropyl)isoquinolin-2(1H)-yl]but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2
InChI InChI=1S/C16H17NO2/c1-12(18)7-9-17-10-8-14-5-3-4-6-15(14)16(17)11-13(2)19/h3-10,16H,11H2,1-2H3/b9-7-
InChIKey TVQTWYLFSRJVOO-CLFYSBASSA-N
Molecular Weight 255.317 g/mol
SMILES C1(N(C=Cc2ccccc12)\C=C/C(=O)C)CC(=O)C
SPLASH splash10-002e-5950000000-223de334451fd8e272d7
Source of Spectrum H-91-848-2f
Wiley ID 1693303