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rac-2,2'-Di(ethoxycarbonyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
SpectraBase Compound ID GF9yPiPPnXW
InChI InChI=1S/C28H36N2O8/c1-7-37-27(31)29-11-9-17-13-21(33-3)23(35-5)15-19(17)25(29)26-20-16-24(36-6)22(34-4)14-18(20)10-12-30(26)28(32)38-8-2/h13-16,25-26H,7-12H2,1-6H3/t25-,26-/m0/s1
InChIKey PJNVBBISPZUHRF-UIOOFZCWSA-N
Mol Weight 528.6 g/mol
Molecular Formula C28H36N2O8
Exact Mass 528.247166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3dUZ5427p
Name rac-2,2'-Di(ethoxycarbonyl)-6,6',7,7'-tetramethoxy-1,1',2,2',3,3',4,4',octahydro-1,1'bisisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O8
InChI InChI=1S/C28H36N2O8/c1-7-37-27(31)29-11-9-17-13-21(33-3)23(35-5)15-19(17)25(29)26-20-16-24(36-6)22(34-4)14-18(20)10-12-30(26)28(32)38-8-2/h13-16,25-26H,7-12H2,1-6H3/t25-,26-/m0/s1
InChIKey PJNVBBISPZUHRF-UIOOFZCWSA-N
Molecular Weight 528.602 g/mol
SMILES [C@@]1([C@]2(N(C(=O)OCC)CCc3c2cc(c(OC)c3)OC)[H])(N(C(=O)OCC)CCc2c1cc(c(OC)c2)OC)[H]
SPLASH splash10-03di-1490000000-bbdf6b0df568f23916f7
Source of Spectrum F-59-466-8
Synonyms (1S)-1-[(1S)-2-ethoxycarbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Ethyl (1S)-1-[(1S)-2-ethoxycarbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Wiley ID 1676747