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Di-tert-butyl ester of 3-Hydroxyethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-malonic acid
SpectraBase Compound ID 8xyIhvctWil
InChI InChI=1S/C28H38N2O6/c1-27(2,3)35-25(33)22(26(34)36-28(4,5)6)19-15-21-23-17(16-9-7-8-10-20(16)29-23)11-13-30(21)24(32)18(19)12-14-31/h7-10,18-19,21-22,29,31H,11-15H2,1-6H3
InChIKey HMGRBQWTEQQEIG-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C28H38N2O6
Exact Mass 498.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyY8dcIgEBG
Name Di-tert-butyl ester of 3-Hydroxyethyl-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-malonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38N2O6
InChI InChI=1S/C28H38N2O6/c1-27(2,3)35-25(33)22(26(34)36-28(4,5)6)19-15-21-23-17(16-9-7-8-10-20(16)29-23)11-13-30(21)24(32)18(19)12-14-31/h7-10,18-19,21-22,29,31H,11-15H2,1-6H3
InChIKey HMGRBQWTEQQEIG-UHFFFAOYSA-N
Molecular Weight 498.620 g/mol
SMILES OCCC1C(N2C(c3c(CC2)c2ccccc2[nH]3)CC1C(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=O
SPLASH splash10-000l-0059500000-c5d0a5e9d94303b0e522
Source of Spectrum K-109-3835-0
Synonyms 1,3-Di-tert-butyl 2-[5-(2-hydroxyethyl)-6-oxo-7,17-diazatetracyclo[8.7.0.0(2,7).0(11,16)]heptadeca-1(10),11(16),12,14-tetraen-4-yl]propanedioate
Wiley ID 1398583