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1H-Benz[g]indole-3-carboxylic acid, 5-(acetyloxy)-1-(2,2-dimethoxyethyl)-2-methyl-, ethyl ester
SpectraBase Compound ID HhBfOPGQAm4
InChI InChI=1S/C22H25NO6/c1-6-28-22(25)20-13(2)23(12-19(26-4)27-5)21-16-10-8-7-9-15(16)18(11-17(20)21)29-14(3)24/h7-11,19H,6,12H2,1-5H3
InChIKey WYWLQLPFFYKNRW-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyZN77hOeoM
Name 1H-Benz[g]indole-3-carboxylic acid, 5-(acetyloxy)-1-(2,2-dimethoxyethyl)-2-methyl-, ethyl ester
Alternate Name(s) ethyl 5-(acetyloxy)-1-(2,2-dimethoxyethyl)-2-methyl-1H-benzo[g]indole-3-carboxylate Ethyl 5-acetoxy-1-(2',2'-dimethoxyethyl)-2-methyl-1H-benz[g]indole-3-carboxylate
CAS Registry Number 92827-49-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-6-28-22(25)20-13(2)23(12-19(26-4)27-5)21-16-10-8-7-9-15(16)18(11-17(20)21)29-14(3)24/h7-11,19H,6,12H2,1-5H3
InChIKey WYWLQLPFFYKNRW-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES c1(c([n](CC(OC)OC)c2c1cc(c1ccccc21)OC(=O)C)C)C(=O)OCC
SPLASH splash10-0a4j-0009000000-66cd95c392d82094cc0b
Source of Spectrum B-37-1268-0
Wiley ID 1368991