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2-Methoxycarbonyl-2-prop-2-ynylpentanedioic acid 5-ethyl ester 1-methyl ester
SpectraBase Compound ID LvxEWSHkmmr
InChI InChI=1S/C13H18O6/c1-5-8-13(11(15)17-3,12(16)18-4)9-7-10(14)19-6-2/h1H,6-9H2,2-4H3
InChIKey RNISMTQVBHCXMU-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJywlok10MR
Name 2-Methoxycarbonyl-2-prop-2-ynylpentanedioic acid 5-ethyl ester 1-methyl ester
Alternate Name(s) 1-Ethyl 3,3-dimethyl hex-5-yne-1,3,3-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O6
InChI InChI=1S/C13H18O6/c1-5-8-13(11(15)17-3,12(16)18-4)9-7-10(14)19-6-2/h1H,6-9H2,2-4H3
InChIKey RNISMTQVBHCXMU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200505211
Molecular Weight 270.281 g/mol
SMILES C(C(CCC(=O)OCC)(CC#C)C(=O)OC)(=O)OC
SPLASH splash10-02br-2920000000-35f3d00782c130959c68
Source of Spectrum ASC-347-1587/SM2-1a
Wiley ID 1767743