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5-O-benzyl 2-O-methyl 7-(3-acetyloxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate
SpectraBase Compound ID 4Ys965mleuB
InChI InChI=1S/C24H25NO7/c1-15-18-12-20(24(28)29-3)25-22(18)21(31-11-7-10-30-16(2)26)13-19(15)23(27)32-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,25H,7,10-11,14H2,1-3H3
InChIKey CWTBMGVASXJKEH-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C24H25NO7
Exact Mass 439.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36LosttIR4s
Name 5-O-benzyl 2-O-methyl 7-(3-acetyloxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7
InChI InChI=1S/C24H25NO7/c1-15-18-12-20(24(28)29-3)25-22(18)21(31-11-7-10-30-16(2)26)13-19(15)23(27)32-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,25H,7,10-11,14H2,1-3H3
InChIKey CWTBMGVASXJKEH-UHFFFAOYSA-N
Molecular Weight 439.464 g/mol
SMILES [nH]1c2c(cc(c(c2cc1C(=O)OC)C)C(=O)OCc1ccccc1)OCCCOC(=O)C
SPLASH splash10-0udl-6900000000-509e1be53a2069c6122b
Source of Spectrum E1-46-566-27
Synonyms 7-(3-acetoxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester 7-(3-acetyloxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester O2-methyl O5-(phenylmethyl) 7-(3-acetyloxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 7-(3-acetoxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate
Wiley ID 1554258