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2-Hydroxy-2-(1-methyl-3-indolyl)propanedioic acid diethyl ester
SpectraBase Compound ID IfUnGZpTHSb
InChI InChI=1S/C16H19NO5/c1-4-21-14(18)16(20,15(19)22-5-2)12-10-17(3)13-9-7-6-8-11(12)13/h6-10,20H,4-5H2,1-3H3
InChIKey WCBCPSKZHGTDRH-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ttNH3sCK0W
Name 2-Hydroxy-2-(1-methyl-3-indolyl)propanedioic acid diethyl ester
CAS Registry Number 127744-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-4-21-14(18)16(20,15(19)22-5-2)12-10-17(3)13-9-7-6-8-11(12)13/h6-10,20H,4-5H2,1-3H3
InChIKey WCBCPSKZHGTDRH-UHFFFAOYSA-N
Molecular Weight 305.330 g/mol
SMILES OC(c1c[n](C)c2c1cccc2)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0a59-0941000000-8b7202dea1f8d65470e5
Source of Spectrum O1-65-43-2
Synonyms Propanedioic acid, hydroxy(1-methyl-1H-indol-3-yl)-, diethyl ester 2-Hydroxy-2-(1-methylindol-3-yl)malonic acid diethyl ester Diethyl 2-(1-methylindol-3-yl)-2-oxidanyl-propanedioate Diethyl 2-hydroxy-2-(1-methylindol-3-yl)propanedioate
Wiley ID 1593003