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(S,Z)-4-Methoxycarbonylmethylidene-3-methyl-3,4-dihydro-2H-isoquinoline-1-one
SpectraBase Compound ID 19Mocgv8Fg6
InChI InChI=1S/C13H13NO3/c1-8-11(7-12(15)17-2)9-5-3-4-6-10(9)13(16)14-8/h3-8H,1-2H3,(H,14,16)/b11-7+/t8-/m0/s1
InChIKey MCIMAMKFWOTTGB-LBTPYSACSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZNQIkJ5DbK
Name (S,Z)-4-Methoxycarbonylmethylidene-3-methyl-3,4-dihydro-2H-isoquinoline-1-one
Alternate Name(s) (S,Z)-methyl 2-(3-methyl-1-oxo-2,3-dihydroisoquinolin-4(1H)-ylidene)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-8-11(7-12(15)17-2)9-5-3-4-6-10(9)13(16)14-8/h3-8H,1-2H3,(H,14,16)/b11-7+/t8-/m0/s1
InChIKey MCIMAMKFWOTTGB-LBTPYSACSA-N
Literature Reference DOI 10.1002_1615-4169(20010430)343_4_360
Molecular Weight 231.251 g/mol
SMILES N1C(c2c(\C([C@@]1(C)[H])=C/C(=O)OC)cccc2)=O
SPLASH splash10-00e9-1940000000-99e0d422ca3075faf12f
Source of Spectrum ASC-343-364-5a
Wiley ID 1767135