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Dimethyl (rs)-1-allyl-1,2-dihydronaphthalene-1,4-dicarboxylate

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

Dimethyl (rs)-1-allyl-1,2-dihydronaphthalene-1,4-dicarboxylate
SpectraBase Compound ID DIle2VVes97
InChI InChI=1S/C17H18O4/c1-4-10-17(16(19)21-3)11-9-13(15(18)20-2)12-7-5-6-8-14(12)17/h4-9H,1,10-11H2,2-3H3
InChIKey KZVSUKVANNLOMF-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILNHMzttrhY
Name Dimethyl (rs)-1-allyl-1,2-dihydronaphthalene-1,4-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.120509056 u
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-4-10-17(16(19)21-3)11-9-13(15(18)20-2)12-7-5-6-8-14(12)17/h4-9H,1,10-11H2,2-3H3
InChIKey KZVSUKVANNLOMF-UHFFFAOYSA-N
SMILES C=1(C2=C(C=CC=C2)C(CC1)(C(=O)OC)CC=C)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956933