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4-Isoquinolinecarboxylic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,2,4a,7,8,8a-hexahydro-2-methyl-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID 65cTfXfZKwe
InChI InChI=1S/C18H31NO3Si/c1-18(2,3)23(6,7)22-14-8-9-15-13(10-14)11-19(4)12-16(15)17(20)21-5/h8-9,12-15H,10-11H2,1-7H3/t13-,14-,15-/m0/s1
InChIKey AFEMLBUIKUNAHI-KKUMJFAQSA-N
Mol Weight 337.54 g/mol
Molecular Formula C18H31NO3Si
Exact Mass 337.20732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IPE43t1glS
Name 4-Isoquinolinecarboxylic acid, 7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,2,4a,7,8,8a-hexahydro-2-methyl-, methyl ester, (4a.alpha.,7.alpha.,8a.alpha.)-(.+-.)-
Alternate Name(s) Methyl (4aS,7R,8aR)-7-{[tert-butyl(dimethyl)silyl]oxy}-2-methyl-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate
CAS Registry Number 120230-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO3Si
InChI InChI=1S/C18H31NO3Si/c1-18(2,3)23(6,7)22-14-8-9-15-13(10-14)11-19(4)12-16(15)17(20)21-5/h8-9,12-15H,10-11H2,1-7H3/t13-,14-,15-/m0/s1
InChIKey AFEMLBUIKUNAHI-KKUMJFAQSA-N
Molecular Weight 337.535 g/mol
SMILES C=1([C@@]2([C@](C[C@@](O[Si](C(C)(C)C)(C)C)(C=C2)[H])([H])CN(C1)C)[H])C(=O)OC
SPLASH splash10-016r-0900000000-1c779c08815d242265a2
Source of Spectrum J-54-2902-57
Wiley ID 1333093