For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Dimethyl [3-(2-formyl-5-methylphenyl)prop-2-yn-1-yl]-propanedioate
SpectraBase Compound ID FXSWYsmlb8c
InChI InChI=1S/C16H16O5/c1-11-7-8-13(10-17)12(9-11)5-4-6-14(15(18)20-2)16(19)21-3/h7-10,14H,6H2,1-3H3
InChIKey CVBWIWCHZNTQRS-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AUZjX0P87aY
Name Dimethyl [3-(2-formyl-5-methylphenyl)prop-2-yn-1-yl]-propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-11-7-8-13(10-17)12(9-11)5-4-6-14(15(18)20-2)16(19)21-3/h7-10,14H,6H2,1-3H3
InChIKey CVBWIWCHZNTQRS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201409859
Molecular Weight 288.299 g/mol
SMILES c1cc(C=O)c(C#CCC(C(OC)=O)C(OC)=O)cc1C
SPLASH splash10-00vi-0970000000-0497025421dcbb8c277d
Source of Spectrum ACI-54-1666/SMS57-S7b
Synonyms Dimethyl 2-(3-(2-formyl-5-methylphenyl)prop-2-yn-1-yl)malonate
Wiley ID 1761114