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1-O-hexyl 4-O-propan-2-yl butanedioate
SpectraBase Compound ID Du0zidp3JT5
InChI InChI=1S/C13H24O4/c1-4-5-6-7-10-16-12(14)8-9-13(15)17-11(2)3/h11H,4-10H2,1-3H3
InChIKey KRESTHOXSTTWIV-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6claeyyaH4p
Name 1-O-hexyl 4-O-propan-2-yl butanedioate
Alternate Name(s) Butanedioic acid O1-hexyl ester O4-propan-2-yl ester Hexyl isopropyl succinate O1-hexyl O4-isopropyl butanedioate O1-hexyl O4-propan-2-yl butanedioate Succinic acid O1-hexyl ester O4-isopropyl ester
CAS Registry Number 959261-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-4-5-6-7-10-16-12(14)8-9-13(15)17-11(2)3/h11H,4-10H2,1-3H3
InChIKey KRESTHOXSTTWIV-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES CCCCCCOC(=O)CCC(=O)OC(C)C
SPLASH splash10-0f6x-9300000000-232df8d26754060cd1d9
Wiley ID 1470002