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Dimethyl 1-allyl-1,2,3,4-tetrahydro-1-methyl-2,3-naphthalenedicarboxylate

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

Dimethyl 1-allyl-1,2,3,4-tetrahydro-1-methyl-2,3-naphthalenedicarboxylate
SpectraBase Compound ID 7aVPklUUYi8
InChI InChI=1S/C18H22O4/c1-5-10-18(2)14-9-7-6-8-12(14)11-13(16(19)21-3)15(18)17(20)22-4/h5-9,13,15H,1,10-11H2,2-4H3/t13-,15-,18+/m0/s1
InChIKey BXUUHIMVVUCYSD-DHSIGJKJSA-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 Bri3Km3DzpQ
Name Dimethyl 1-allyl-1,2,3,4-tetrahydro-1-methyl-2,3-naphthalenedicarboxylate
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/c1-5-10-18(2)14-9-7-6-8-12(14)11-13(16(19)21-3)15(18)17(20)22-4/h5-9,13,15H,1,10-11H2,2-4H3/t13-,15-,18+/m0/s1
InChIKey BXUUHIMVVUCYSD-DHSIGJKJSA-N
SMILES [C@]1([C@@]([C@@](C(=O)OC)(CC2=C1C=CC=C2)[H])(C(=O)OC)[H])(CC=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945521