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(+,-)-trans-N-methyl-3-(2-methylphenyl)-4-methyl-3,4-dihydro-1(2H)-isoquinolone
SpectraBase Compound ID K7VL6uBTr97
InChI InChI=1S/C18H19NO/c1-12-8-4-5-9-14(12)17-13(2)15-10-6-7-11-16(15)18(20)19(17)3/h4-11,13,17H,1-3H3/t13-,17-/m0/s1
InChIKey OZRXMAHCWOUSNK-GUYCJALGSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQemOJzQJlI
Name (+,-)-trans-N-methyl-3-(2-methylphenyl)-4-methyl-3,4-dihydro-1(2H)-isoquinolone
Alternate Name(s) (3S,4S)-2,4-dimethyl-3-(2-methylphenyl)-3,4-dihydro-1(2H)-isoquinolinone
CAS Registry Number 118514-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO
InChI InChI=1S/C18H19NO/c1-12-8-4-5-9-14(12)17-13(2)15-10-6-7-11-16(15)18(20)19(17)3/h4-11,13,17H,1-3H3/t13-,17-/m0/s1
InChIKey OZRXMAHCWOUSNK-GUYCJALGSA-N
Molecular Weight 265.356 g/mol
SMILES C1(N([C@@]([C@](c2ccccc12)(C)[H])(c1c(C)cccc1)[H])C)=O
SPLASH splash10-001i-0930000000-2a50b3d1454ca23bd089
Source of Spectrum J-54-1176-11
Wiley ID 1269240