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(4aS*,8aS*)-1-ethoxy-8a-methyl-3,4,4a,7,8,8a-hexahydroisoquinol-3-one
SpectraBase Compound ID BWxI6dnMQTQ
InChI InChI=1S/C12H17NO2/c1-3-15-11-12(2)7-5-4-6-9(12)8-10(14)13-11/h4,6,9H,3,5,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKey JOAJGOICBHCBGG-SKDRFNHKSA-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 GAJm0Zjynuh
Name (4aS*,8aS*)-1-ethoxy-8a-methyl-3,4,4a,7,8,8a-hexahydroisoquinol-3-one
CAS Registry Number 108306-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-3-15-11-12(2)7-5-4-6-9(12)8-10(14)13-11/h4,6,9H,3,5,7-8H2,1-2H3/t9-,12+/m1/s1
InChIKey JOAJGOICBHCBGG-SKDRFNHKSA-N
Molecular Weight 207.273 g/mol
SMILES C1(=NC(C[C@]2(C=CCC[C@]12C)[H])=O)OCC
SPLASH splash10-01r6-1900000000-b717c4386185a4ac9b94
Source of Spectrum J-54-4341-7
Synonyms (4aS,8aS)-1-ethoxy-8a-methyl-4a,7,8,8a-tetrahydro-3(4H)-isoquinolinone
Wiley ID 1205872