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Dimethyl 2-propylheptanedioate
SpectraBase Compound ID 7TJOQPD73mK
InChI InChI=1S/C12H22O4/c1-4-7-10(12(14)16-3)8-5-6-9-11(13)15-2/h10H,4-9H2,1-3H3
InChIKey FTDNFRCIZCKCQR-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeIOTizrqzj
Name Dimethyl 2-propylheptanedioate
Alternate Name(s) 2-Propylheptanedioic acid dimethyl ester 2-Propylpimelic acid dimethyl ester Dimethyl 2-propylheptane-1,7-dioate Heptanedioic acid, 2-propyl-, dimethyl ester
CAS Registry Number 41144-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-4-7-10(12(14)16-3)8-5-6-9-11(13)15-2/h10H,4-9H2,1-3H3
InChIKey FTDNFRCIZCKCQR-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES C(=O)(CCCCC(CCC)C(=O)OC)OC
SPLASH splash10-0avr-9300000000-cc45c75c461316666e08
Source of Spectrum NP-5-9142-0
Wiley ID 1105281