| SpectraBase Spectrum ID |
1DiymDUt403 |
| Name |
2,4,4-Trimethyl-3-(2'-chloro-1'-cyclobutenyl)-1,3-pentadiene |
| Comments |
Note: The molecular formula of the structure shown is C12H18Cl - which differs from the formula reported for the mass spectrum (C12H17Cl) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17Cl |
| InChI |
InChI=1S/C12H18Cl/c1-8(2)11(12(3,4)5)9-6-7-10(9)13/h1,6-7H2,2-5H3 |
| InChIKey |
ROZZSIKQNPYAPH-UHFFFAOYSA-N |
| Molecular Weight |
197.729 g/mol |
| SMILES |
C=C(C(=[C](C)(C)C)C1=C(CC1)Cl)C |
| SPLASH |
splash10-004j-7900000000-1d9bb12db61cf7c30d76 |
| Source of Spectrum |
QF-40-2234-0 |
| Wiley ID |
832723 |
