| SpectraBase Compound ID | IRpE6MTp7eY |
|---|---|
| InChI | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8+,18-10+,19-11+ |
| InChIKey | DMHADBQKVWXPPM-KKXGDROXSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C20H32 |
| Exact Mass | 272.250401 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H14cSaxyTtW |
|---|---|
| Name | 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)- |
| CAS Registry Number | 1898-13-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32 |
| InChI | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8+,18-10+,19-11+ |
| InChIKey | DMHADBQKVWXPPM-KKXGDROXSA-N |
| Molecular Weight | 272.476 g/mol |
| SMILES | CC(C)C1CC\C(C)=C\CC\C(C)=C\C\C=C/(C)\C=C/1 |
| SPLASH | splash10-052f-9810000000-09adf75e91fdbb855623 |
| Source of Spectrum | CD-455-0-0 |
| Synonyms | 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]- Thunbergene 14-Isopropyl-3,7,11-trimethyl-1,3,6,10-cyclotetradecatetraene (+)-Cembrene (+)-Thunbergen (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene (1Z,3E,6E,10E)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene (1Z,3E,6E,10E)-3,7,11-trimethyl-14-propan-2-yl-cyclotetradeca-1,3,6,10-tetraene (S-(E,Z,E,E))-3,7,11-trimethyl-14-(1-methylethyl)-1,3,6,10-cyclotetradecatetraene Cembrene Thunbergen |
| Wiley ID | 1276789 |