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2-(1-Phenylethenyl)-2-propylcyclopropane-1,1-dicarboxylic acid dimethyl ester

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

2-(1-Phenylethenyl)-2-propylcyclopropane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID IAVOhTAVE4l
InChI InChI=1S/C18H22O4/c1-5-11-17(13(2)14-9-7-6-8-10-14)12-18(17,15(19)21-3)16(20)22-4/h6-10H,2,5,11-12H2,1,3-4H3
InChIKey CYIBTROBNNUBJT-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86VmPMwh0MH
Name 2-(1-Phenylethenyl)-2-propylcyclopropane-1,1-dicarboxylic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-5-11-17(13(2)14-9-7-6-8-10-14)12-18(17,15(19)21-3)16(20)22-4/h6-10H,2,5,11-12H2,1,3-4H3
InChIKey CYIBTROBNNUBJT-UHFFFAOYSA-N
SMILES C1(C(C1)(C(=C)C=1C=CC=CC1)CCC)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826128