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4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 7eZwYkdxHYs
InChI InChI=1S/C12H17NO2/c1-13-7-9-5-3-4-6-10(9)11(8-13)12(14)15-2/h4,6,8-10H,3,5,7H2,1-2H3/t9-,10-/m0/s1
InChIKey OYGIVLFHFSZNPM-UWVGGRQHSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11lUpUV7thQ
Name 4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-, methyl ester, cis-(.+-.)-
Alternate Name(s) Methyl (4aS,8aR)-2-methyl-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate
CAS Registry Number 120230-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-13-7-9-5-3-4-6-10(9)11(8-13)12(14)15-2/h4,6,8-10H,3,5,7H2,1-2H3/t9-,10-/m0/s1
InChIKey OYGIVLFHFSZNPM-UWVGGRQHSA-N
Molecular Weight 207.273 g/mol
SMILES C=1([C@@]2([C@](CCC=C2)([H])CN(C1)C)[H])C(=O)OC
SPLASH splash10-056v-1940000000-3dca98c62110569c6a1a
Source of Spectrum J-54-2901-51
Wiley ID 1205871