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4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID 5gNR14u4674
InChI InChI=1S/C16H23NO4/c1-16(20-6-7-21-16)12-4-5-13-11(8-12)9-17(2)10-14(13)15(18)19-3/h4-5,10-13H,6-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKey DGQGWHURQDFNLT-AVGNSLFASA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlxhmPhdd4k
Name 4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 120230-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-16(20-6-7-21-16)12-4-5-13-11(8-12)9-17(2)10-14(13)15(18)19-3/h4-5,10-13H,6-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKey DGQGWHURQDFNLT-AVGNSLFASA-N
Molecular Weight 293.363 g/mol
SMILES C=1([C@@]2([C@](C[C@@](C3(OCCO3)C)(C=C2)[H])([H])CN(C1)C)[H])C(=O)OC
SPLASH splash10-03e0-5390000000-046ba6d1c75edf58ddce
Source of Spectrum J-54-2902-54
Synonyms Methyl (4aS,7R,8aR)-2-methyl-7-(2-methyl-1,3-dioxolan-2-yl)-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate
Wiley ID 1296344