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3-Cyano-2-[bis(methoxycarbonyl)methyl]indoloquinolizidine
SpectraBase Compound ID AvO3txJpmWS
InChI InChI=1S/C21H21N3O4/c1-27-20(25)18(21(26)28-2)15-9-17-19-14(7-8-24(17)11-12(15)10-22)13-5-3-4-6-16(13)23-19/h3-6,11,15,17-18,23H,7-9H2,1-2H3/t15-,17?/m0/s1
InChIKey XXSJCLPTXZGLGY-MYJWUSKBSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kbixGQYexh
Name 3-Cyano-2-[bis(methoxycarbonyl)methyl]indoloquinolizidine
Comments Less than 3 mono-isotopic peaks
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Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-27-20(25)18(21(26)28-2)15-9-17-19-14(7-8-24(17)11-12(15)10-22)13-5-3-4-6-16(13)23-19/h3-6,11,15,17-18,23H,7-9H2,1-2H3/t15-,17?/m0/s1
InChIKey XXSJCLPTXZGLGY-MYJWUSKBSA-N
Molecular Weight 379.416 g/mol
SMILES [nH]1c2ccccc2c2c1C1N(CC2)C=C([C@](C1)(C(C(=O)OC)C(=O)OC)[H])C#N
SPLASH splash10-0002-0092000000-a088d20a1bca6ee9c9f1
Source of Spectrum J-66-1491-6
Wiley ID 1534626