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

*Links on SpectraBase are not permalinks.

Dihexyl 6-(ethynylazulene)-1,3-dicarboxylate

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

Dihexyl 6-(ethynylazulene)-1,3-dicarboxylate
SpectraBase Compound ID 3Pi1AkCeIJh
InChI InChI=1S/C26H32O4/c1-4-7-9-11-17-29-25(27)23-19-24(26(28)30-18-12-10-8-5-2)22-16-14-20(6-3)13-15-21(22)23/h3,13-16,19H,4-5,7-12,17-18H2,1-2H3
InChIKey KSUIWIRTCSOZRV-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 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 K8qWPgggwYJ
Name Dihexyl 6-(ethynylazulene)-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-4-7-9-11-17-29-25(27)23-19-24(26(28)30-18-12-10-8-5-2)22-16-14-20(6-3)13-15-21(22)23/h3,13-16,19H,4-5,7-12,17-18H2,1-2H3
InChIKey KSUIWIRTCSOZRV-UHFFFAOYSA-N
Molecular Weight 408.538 g/mol
SMILES c12c(c(C(=O)OCCCCCC)cc2C(=O)OCCCCCC)ccc(C#C)cc1
SPLASH splash10-0a4i-0041900000-53da0101e809ce181529
Source of Spectrum C-125-1677-5b
Wiley ID 1701239