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1,1-Bis(methoxycarbonyl)-2-[1'-(4"-methylphenyl)ethenyl]cyclopropane
SpectraBase Compound ID 3Xzb0bDIA0Q
InChI InChI=1S/C16H18O4/c1-10-5-7-12(8-6-10)11(2)13-9-16(13,14(17)19-3)15(18)20-4/h5-8,13H,2,9H2,1,3-4H3
InChIKey PWUXJPRZKYNESS-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GmOPE4y04Y0
Name 1,1-bis(Methoxycarbonyl)-2-[1'-(4''-methylphenyl)ethenyl]cyclopropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.120509056 u
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-10-5-7-12(8-6-10)11(2)13-9-16(13,14(17)19-3)15(18)20-4/h5-8,13H,2,9H2,1,3-4H3
InChIKey PWUXJPRZKYNESS-UHFFFAOYSA-N
SMILES C1(C(C(C=2C=CC(=CC2)C)=C)C1)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863972