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7-(3-acetoxypropoxy)-2-carbomethoxy-4-methyl-1H-indole-5-carboxylic acid
SpectraBase Compound ID GAfDeDs8xYm
InChI InChI=1S/C17H19NO7/c1-9-11-7-13(17(22)23-3)18-15(11)14(8-12(9)16(20)21)25-6-4-5-24-10(2)19/h7-8,18H,4-6H2,1-3H3,(H,20,21)
InChIKey UNVKELYDBHZSSN-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C17H19NO7
Exact Mass 349.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJTK3jV1UOS
Name 7-(3-acetoxypropoxy)-2-carbomethoxy-4-methyl-1H-indole-5-carboxylic acid
Alternate Name(s) 7-(3-acetoxypropoxy)-2-methoxycarbonyl-4-methyl-1H-indole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO7
InChI InChI=1S/C17H19NO7/c1-9-11-7-13(17(22)23-3)18-15(11)14(8-12(9)16(20)21)25-6-4-5-24-10(2)19/h7-8,18H,4-6H2,1-3H3,(H,20,21)
InChIKey UNVKELYDBHZSSN-UHFFFAOYSA-N
Molecular Weight 349.339 g/mol
SMILES [nH]1c(cc2c(c(C(=O)O)cc(c12)OCCCOC(=O)C)C)C(=O)OC
SPLASH splash10-0udl-6900000000-1e50209614fb14a3a36b
Source of Spectrum E1-46-566-28
Wiley ID 1554257