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Dimethyl 2-methyl-3-(3'-methyl-1',3'-butadienyl)cyclopropane-1,1-dicarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Dimethyl 2-methyl-3-(3'-methyl-1',3'-butadienyl)cyclopropane-1,1-dicarboxylate
SpectraBase Compound ID 5KFjVNrdovY
InChI InChI=1S/C13H18O4/c1-8(2)6-7-10-9(3)13(10,11(14)16-4)12(15)17-5/h6-7,9-10H,1H2,2-5H3/b7-6+
InChIKey DZXREVHZJHISCI-VOTSOKGWSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID SDNPK3Eyj2
Name Dimethyl 2-methyl-3-(3'-methyl-1',3'-butadienyl)cyclopropane-1,1-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-8(2)6-7-10-9(3)13(10,11(14)16-4)12(15)17-5/h6-7,9-10H,1H2,2-5H3/b7-6+
InChIKey DZXREVHZJHISCI-VOTSOKGWSA-N
Molecular Weight 238.283 g/mol
SMILES C1(C(\C=C\C(=C)C)C1C)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948432