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Heptanedioic acid, 2-methyl-, dimethyl ester
SpectraBase Compound ID 5ihIeL4zomM
InChI InChI=1S/C10H18O4/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3
InChIKey KNHPIDSTNJTCOI-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8ZGb7GRGW5
Name Heptanedioic acid, 2-methyl-, dimethyl ester
Alternate Name(s) 2-Methylheptanedioic acid dimethyl ester Dimethyl 2-methylheptanedioate 2-Methylpimelic acid dimethyl ester Dimethyl 2-methylheptane-1,7-dioate
CAS Registry Number 58558-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3
InChIKey KNHPIDSTNJTCOI-UHFFFAOYSA-N
Molecular Weight 202.250 g/mol
SMILES C(=O)(C(CCCCC(=O)OC)C)OC
SPLASH splash10-0ap3-9300000000-9e51af55b055e31894af
Source of Spectrum HE-1986-2078-0
Wiley ID 1199473