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8,8-Dimethoxycarbonyl-9.alpha.-n-butyloxy-8,9,10,10a-tetrahydroisoquinolino[1,2-a]pyrrole
SpectraBase Compound ID KrZq28Nrf29
InChI InChI=1S/C20H25NO5/c1-4-5-11-26-17-12-15-14(8-10-21-9-6-7-16(15)21)13-20(17,18(22)24-2)19(23)25-3/h6-10,13,15,17H,4-5,11-12H2,1-3H3/t15?,17-/m0/s1
InChIKey DQWHGLDCBTUSAR-LWKPJOBUSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H25NO5
Exact Mass 359.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWXO5MBPOMW
Name 8,8-Dimethoxycarbonyl-9.alpha.-n-butyloxy-8,9,10,10a-tetrahydroisoquinolino[1,2-a]pyrrole
Alternate Name(s) Dimethyl (9S)-9-butoxy-10,10a-dihydropyrrolo[2,1-a]isoquinoline-8,8(9H)-dicarboxylate
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Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-4-5-11-26-17-12-15-14(8-10-21-9-6-7-16(15)21)13-20(17,18(22)24-2)19(23)25-3/h6-10,13,15,17H,4-5,11-12H2,1-3H3/t15?,17-/m0/s1
InChIKey DQWHGLDCBTUSAR-LWKPJOBUSA-N
Molecular Weight 359.422 g/mol
SMILES C1(C=C2C=C[n]3c(C2C[C@@]1(OCCCC)[H])ccc3)(C(=O)OC)C(=O)OC
SPLASH splash10-0k96-0956000000-d798a078a9456039d431
Source of Spectrum AJ-61-2522-24
Wiley ID 1347792