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trans-3-(1,3-benzodioxo-5-yl)-2-methyl-4-(2-propenyl)-3,4-dihydro-1(2H)-isoquinolone
SpectraBase Compound ID FKVF00cRZyU
InChI InChI=1S/C20H19NO3/c1-3-6-15-14-7-4-5-8-16(14)20(22)21(2)19(15)13-9-10-17-18(11-13)24-12-23-17/h3-5,7-11,15,19H,1,6,12H2,2H3/t15-,19+/m0/s1
InChIKey GJNUIFQLORNSKQ-HNAYVOBHSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KER0NjdUL8F
Name trans-3-(1,3-benzodioxo-5-yl)-2-methyl-4-(2-propenyl)-3,4-dihydro-1(2H)-isoquinolone
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Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-3-6-15-14-7-4-5-8-16(14)20(22)21(2)19(15)13-9-10-17-18(11-13)24-12-23-17/h3-5,7-11,15,19H,1,6,12H2,2H3/t15-,19+/m0/s1
InChIKey GJNUIFQLORNSKQ-HNAYVOBHSA-N
Molecular Weight 321.376 g/mol
SMILES C1(N([C@@]([C@](c2ccccc12)(CC=C)[H])(c1cc2OCOc2cc1)[H])C)=O
SPLASH splash10-05cr-0942000000-bc21b178974d15befda5
Source of Spectrum J-52-5356-23
Synonyms (3S,4S)-4-allyl-3-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1(2H)-isoquinolinone
Wiley ID 1321058