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citric acid, tripentyl ester
SpectraBase Compound ID B8uPzNe8et
InChI InChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3
InChIKey DXRFOGXSSDRZFP-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C21H38O7
Exact Mass 402.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ijnjrUfWS
Name Tripentyl 2-hydroxy-1,2,3-propanetricarboxylate
CAS Registry Number 70289-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O7
InChI InChI=1S/C21H38O7/c1-4-7-10-13-26-18(22)16-21(25,20(24)28-15-12-9-6-3)17-19(23)27-14-11-8-5-2/h25H,4-17H2,1-3H3
InChIKey DXRFOGXSSDRZFP-UHFFFAOYSA-N
Molecular Weight 402.528 g/mol
SMILES OC(C(OCCCCC)=O)(CC(OCCCCC)=O)CC(OCCCCC)=O
SPLASH splash10-002g-9510000000-035b0d863d2c7c9d9769
Source of Spectrum NP-14-5215-0
Synonyms Citric acid, tripentyl ester 2-Hydroxypropane-1,2,3-tricarboxylic acid tripentyl ester Tripentyl 2-hydroxypropane-1,2,3-tricarboxylate Tripentyl 2-oxidanylpropane-1,2,3-tricarboxylate
Wiley ID 1111816