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ETHYL-CIS-N-METHYL-ISOQUINOLIDIN-6-EN-7-ONE-5-CARBOXYLATE
SpectraBase Compound ID 1QPYpHyDZxl
InChI InChI=1S/C13H19NO3/c1-3-17-12(16)13-5-4-11(15)8-10(13)9-14(2)7-6-13/h4-5,10H,3,6-9H2,1-2H3/t10-,13-/m1/s1
InChIKey JYJCWBHKSWFYHT-ZWNOBZJWSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpaKTVcVOQI
Name Ethyl (cis)-N-methylisoquinolin-5-en-7-one-4a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-3-17-12(16)13-5-4-11(15)8-10(13)9-14(2)7-6-13/h4-5,10H,3,6-9H2,1-2H3/t10-,13-/m1/s1
InChIKey JYJCWBHKSWFYHT-ZWNOBZJWSA-N
Molecular Weight 237.299 g/mol
SMILES [C@@]12([C@@](CN(CC2)C)(CC(C=C1)=O)[H])C(=O)OCC
SPLASH splash10-03di-2920000000-2584be8755a23527829d
Source of Spectrum I-79-1908-4
Synonyms Adduct-3 Ethyl (4aS,8aS)-2-methyl-7-oxo-1,3,4,7,8,8a-hexahydro-4a(2H)-isoquinolinecarboxylate Ethyl (cis)-N-methyl1,3,4,7,8,8a-hexahydro-2H-isoquinoline-7-one-4a-carboxylate Ethyl (cis)-N-methylisoquinolin-8-en-7-one-10-carboxylate
Wiley ID 812975