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2-(1-Methylpentyl)malonic acid diethyl ester
SpectraBase Compound ID 1CBxtBzZ2Tg
InChI InChI=1S/C13H24O4/c1-5-8-9-10(4)11(12(14)16-6-2)13(15)17-7-3/h10-11H,5-9H2,1-4H3
InChIKey QRXRENXTQLLNQX-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 5ZKRmivsLut
Name 2-(1-Methylpentyl)malonic acid diethyl ester
CAS Registry Number 82297-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-5-8-9-10(4)11(12(14)16-6-2)13(15)17-7-3/h10-11H,5-9H2,1-4H3
InChIKey QRXRENXTQLLNQX-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)C(CCCC)C
SPLASH splash10-03y3-8900000000-1177d821209f39733207
Source of Spectrum HE-1986-2163-0
Synonyms Diethyl 2-(1-methylpentyl)malonate 2-Hexan-2-ylpropanedioic acid diethyl ester Diethyl 2-(1-methylpentyl)propanedioate Diethyl 2-hexan-2-ylpropanedioate Propanedioic acid, (1-methylpentyl)-, diethyl ester
Wiley ID 1246937