| SpectraBase Spectrum ID |
LfPByKd580J |
| Name |
2,4,6-Heptatrienal, 7,7'-(1,3-butadiyne-1,4-diyldi-2,1-phenylene)bis-, (all-E)- |
| Alternate Name(s) |
(2Z,4Z,6Z)-7-[2-(4-{2-[(1Z,3Z,5Z)-7-oxo-1,3,5-heptatrienyl]phenyl}-1,3-butadiynyl)phenyl]-2,4,6-heptatrienal
8,9:14,15-dibenzo-2,4,6,16,18,20-docosahexaene-10,12-diynedial |
| CAS Registry Number |
107006-38-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H22O2 |
| InChI |
InChI=1S/C30H22O2/c31-25-15-5-1-3-7-17-27-19-9-11-21-29(27)23-13-14-24-30-22-12-10-20-28(30)18-8-4-2-6-16-26-32/h1-12,15-22,25-26H/b3-1-,4-2-,15-5-,16-6-,17-7-,18-8- |
| InChIKey |
XLRGBHXOFYEGBH-DFVNYKRKSA-N |
| Molecular Weight |
414.504 g/mol |
| SMILES |
C(C#Cc1c(\C=C/C=C\C=C/C=O)cccc1)#Cc1c(\C=C/C=C\C=C/C=O)cccc1 |
| SPLASH |
splash10-0002-0009500000-0f597486bcdd804fcfae |
| Source of Spectrum |
AJ-59-2214-26 |
| Wiley ID |
1375836 |
