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Ethyl 3-methyl-5-[2-(3-methoxy-2-isopropoxy)phenylethynylcarbonyl]-3-azabicyclo[3.3.0]octanecarboxylate
SpectraBase Compound ID 7PGesySJ0Vr
InChI InChI=1S/C24H31NO5/c1-6-29-22(27)24-14-8-13-23(24,15-25(4)16-24)20(26)12-11-18-9-7-10-19(28-5)21(18)30-17(2)3/h7,9-10,17H,6,8,13-16H2,1-5H3
InChIKey CNTOLKWVUOFEFH-UHFFFAOYSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEaruQ1khoZ
Name Ethyl 3-methyl-5-[2-(3-methoxy-2-isopropoxy)phenylethynylcarbonyl]-3-azabicyclo[3.3.0]octanecarboxylate
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Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-6-29-22(27)24-14-8-13-23(24,15-25(4)16-24)20(26)12-11-18-9-7-10-19(28-5)21(18)30-17(2)3/h7,9-10,17H,6,8,13-16H2,1-5H3
InChIKey CNTOLKWVUOFEFH-UHFFFAOYSA-N
Molecular Weight 413.514 g/mol
SMILES C12(C(C(C#Cc3c(OC(C)C)c(OC)ccc3)=O)(CN(C1)C)CCC2)C(=O)OCC
SPLASH splash10-00di-9712000000-b2a3610111710579ec6a
Source of Spectrum KC-61-3764-18
Synonyms Ethyl 6a-[3-(2-isopropoxy-3-methoxyphenyl)-2-propynoyl]-2-methylhexahydrocyclopenta[c]pyrrole-3a(1H)-carboxylate
Wiley ID 1628590