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(S,Z)-3-Isopropyl-4-methoxycarbonylmethylidene-3,4-dihydro-2H-isoquinoline-1-one
SpectraBase Compound ID 5B3pSRFWDH2
InChI InChI=1S/C15H17NO3/c1-9(2)14-12(8-13(17)19-3)10-6-4-5-7-11(10)15(18)16-14/h4-9,14H,1-3H3,(H,16,18)/b12-8-/t14-/m0/s1
InChIKey VIUXPYRFVVNLPH-UNJUUPHPSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JMVUsxFQU7
Name (S,Z)-3-Isopropyl-4-methoxycarbonylmethylidene-3,4-dihydro-2H-isoquinoline-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-9(2)14-12(8-13(17)19-3)10-6-4-5-7-11(10)15(18)16-14/h4-9,14H,1-3H3,(H,16,18)/b12-8-/t14-/m0/s1
InChIKey VIUXPYRFVVNLPH-UNJUUPHPSA-N
Literature Reference DOI 10.1002_1615-4169(20010430)343_4_360
Molecular Weight 259.305 g/mol
SMILES N1C(c2c(\C([C@@]1(C(C)C)[H])=C/C(=O)OC)cccc2)=O
SPLASH splash10-066r-0490000000-a65b3c29f53880145ab8
Source of Spectrum ASC-343-364-5b
Synonyms (S,Z)-methyl 2-(3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4(1H)-ylidene)acetate (2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester Methyl (2Z)-2-[(3S)-1-oxo-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]acetate Methyl (2Z)-2-[(3S)-3-isopropyl-1-oxo-2,3-dihydroisoquinolin-4-ylidene]acetate Methyl (2Z)-2-[(3S)-1-oxidanylidene-3-propan-2-yl-2,3-dihydroisoquinolin-4-ylidene]ethanoate
Wiley ID 1767136