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Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester
SpectraBase Compound ID GfzG1l9hLfT
InChI InChI=1S/C21H38O6/c1-7-10-15(4)19(22)25-13-18(27-21(24)17(6)12-9-3)14-26-20(23)16(5)11-8-2/h15-18H,7-14H2,1-6H3
InChIKey IBBRAZQLXJXBRZ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H38O6
Exact Mass 386.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcbWhH8hyOt
Name Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester
Alternate Name(s) 2,3-Bis[(2-methylpentanoyl)oxy]propyl 2-methylpentanoate 2-Methylpentanoic acid 2,3-bis(2-methyl-1-oxopentoxy)propyl ester 2-Methylvaleric acid 2,3-bis(2-methylpentanoyloxy)propyl ester
CAS Registry Number 56554-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O6
InChI InChI=1S/C21H38O6/c1-7-10-15(4)19(22)25-13-18(27-21(24)17(6)12-9-3)14-26-20(23)16(5)11-8-2/h15-18H,7-14H2,1-6H3
InChIKey IBBRAZQLXJXBRZ-UHFFFAOYSA-N
Molecular Weight 386.529 g/mol
SMILES C(OC(C(CCC)C)=O)(COC(C(CCC)C)=O)COC(C(CCC)C)=O
SPLASH splash10-00dj-9000000000-e92769f6d7adc8e4bceb
Source of Spectrum EP-5058-0-0
Wiley ID 1362662