| SpectraBase Spectrum ID |
LnjE3DQqChT |
| Name |
2-methoxy-6-oct-1-ynyl-azulene-1,3-dicarboxylic acid diethyl ester |
| Alternate Name(s) |
diethyl 2-methoxy-6-oct-1-ynyl-azulene-1,3-dicarboxylate
2-methoxy-6-oct-1-ynylazulene-1,3-dicarboxylic acid diethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30O5 |
| InChI |
InChI=1S/C25H30O5/c1-5-8-9-10-11-12-13-18-14-16-19-20(17-15-18)22(25(27)30-7-3)23(28-4)21(19)24(26)29-6-2/h14-17H,5-11H2,1-4H3 |
| InChIKey |
XETTZCNPLFGYLJ-UHFFFAOYSA-N |
| Molecular Weight |
410.510 g/mol |
| SMILES |
c1(c(c(c2ccc(ccc12)C#CCCCCCC)C(=O)OCC)OC)C(=O)OCC |
| SPLASH |
splash10-03di-0001900000-c9d5095f5de5330988fc |
| Source of Spectrum |
F-70-3947-10 |
| Wiley ID |
1596884 |
