| SpectraBase Spectrum ID |
HUWJTQkj0SF |
| Name |
1,3,5-Cycloheptatriene, 1,6-bis(4-methyl-1,3-hexadien-5-ynyl)-, (E,E,Z,Z)- |
| Alternate Name(s) |
1,6-bis(4-methylhexa-1,3-dien-5-ynyl)cyclohepta-1,3,5-triene
1-[(1E,3E)-4-methyl-1,3-hexadien-5-ynyl]-6-[(1Z,3E)-4-methyl-1,3-hexadien-5-ynyl]-1,3,5-cycloheptatriene |
| CAS Registry Number |
107182-15-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20 |
| InChI |
InChI=1S/C21H20/c1-5-18(3)11-9-15-20-13-7-8-14-21(17-20)16-10-12-19(4)6-2/h1-2,7-16H,17H2,3-4H3/b15-9-,16-10+,18-11+,19-12+ |
| InChIKey |
HVKCNDGLBQSDBM-KRAUQNMKSA-N |
| Molecular Weight |
272.391 g/mol |
| SMILES |
C(#C)\C(=C\C=C/C1=CC=CC=C(C1)\C=C\C=C\(C#C)C)C |
| SPLASH |
splash10-006x-0090000000-8cfe9c0fcb63dfbe772b |
| Source of Spectrum |
KC-1987-840-3 |
| Wiley ID |
1276902 |
