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1-O-ethyl 3-O,5-O-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate
SpectraBase Compound ID 76TjugdEKx2
InChI InChI=1S/C18H23NO8/c1-4-27-16(21)10-12-18(17(22)26-3,11-9-15(20)25-2)13-5-7-14(8-6-13)19(23)24/h5-8H,4,9-12H2,1-3H3
InChIKey KCIMFCIJWZHQMB-UHFFFAOYSA-N
Mol Weight 381.38 g/mol
Molecular Formula C18H23NO8
Exact Mass 381.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4y49EtvHYY
Name 1-O-ethyl 3-O,5-O-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO8
InChI InChI=1S/C18H23NO8/c1-4-27-16(21)10-12-18(17(22)26-3,11-9-15(20)25-2)13-5-7-14(8-6-13)19(23)24/h5-8H,4,9-12H2,1-3H3
InChIKey KCIMFCIJWZHQMB-UHFFFAOYSA-N
Molecular Weight 381.381 g/mol
SMILES c1(N(=O)=O)ccc(C(C(=O)OC)(CCC(=O)OCC)CCC(=O)OC)cc1
SPLASH splash10-00ko-0390000000-ff48623e65380eeca25c
Source of Spectrum AH-134-531-3
Synonyms 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylic acid O1-ethyl ester O3,O5-dimethyl ester O1-ethyl O3,O5-dimethyl 3-(4-nitrophenyl)pentane-1,3,5-tricarboxylate
Wiley ID 1546850