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5-Benzyl 2-Methyl 7-(3-hydroxypropyloxy)-4-methyl-1H-indole-2,5-dicarboxylate
SpectraBase Compound ID ATgKBIHHOZM
InChI InChI=1S/C22H23NO6/c1-14-16-11-18(22(26)27-2)23-20(16)19(28-10-6-9-24)12-17(14)21(25)29-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,23-24H,6,9-10,13H2,1-2H3
InChIKey HWQKNORIBGSEHH-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C22H23NO6
Exact Mass 397.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14prCfYxSPN
Name 5-Benzyl 2-Methyl 7-(3-hydroxypropyloxy)-4-methyl-1H-indole-2,5-dicarboxylate
Alternate Name(s) 5-Benzyl 2-methyl 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester 5-O-benzyl 2-O-methyl 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate O5-benzyl O2-methyl 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate O2-methyl O5-(phenylmethyl) 4-methyl-7-(3-oxidanylpropoxy)-1H-indole-2,5-dicarboxylate
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Formula C22H23NO6
InChI InChI=1S/C22H23NO6/c1-14-16-11-18(22(26)27-2)23-20(16)19(28-10-6-9-24)12-17(14)21(25)29-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,23-24H,6,9-10,13H2,1-2H3
InChIKey HWQKNORIBGSEHH-UHFFFAOYSA-N
Molecular Weight 397.427 g/mol
SMILES [nH]1c2c(c(c(cc2OCCCO)C(=O)OCc2ccccc2)C)cc1C(=O)OC
SPLASH splash10-05mp-9057000000-2ccbbaa7247e4f2bc7fd
Source of Spectrum E1-46-566-19
Wiley ID 1554261