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1H-Pyrrole-2,3,4-tricarboxylic acid, 5-phenyl-, trimethyl ester
SpectraBase Compound ID HAYU9otSROz
InChI InChI=1S/C16H15NO6/c1-21-14(18)10-11(15(19)22-2)13(16(20)23-3)17-12(10)9-7-5-4-6-8-9/h4-8,17H,1-3H3
InChIKey SKXGTWMJBJXTKV-UHFFFAOYSA-N
Mol Weight 317.3 g/mol
Molecular Formula C16H15NO6
Exact Mass 317.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYInhPLwerw
Name 1H-Pyrrole-2,3,4-tricarboxylic acid, 5-phenyl-, trimethyl ester
Alternate Name(s) Trimethyl 5-Phenyl-1H-pyrrole-2,3,4-tricarboxylate Trimethyl 5-phenylpyrrole-2,3,4-tricarboxylate
CAS Registry Number 131786-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO6
InChI InChI=1S/C16H15NO6/c1-21-14(18)10-11(15(19)22-2)13(16(20)23-3)17-12(10)9-7-5-4-6-8-9/h4-8,17H,1-3H3
InChIKey SKXGTWMJBJXTKV-UHFFFAOYSA-N
Molecular Weight 317.297 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)C(=O)OC)C(=O)OC)-c1ccccc1
SPLASH splash10-0a4i-9072000000-8301aeece8437ad03c3c
Source of Spectrum F4-24-2281-3a
Wiley ID 1739672