| SpectraBase Spectrum ID |
2m2sVSP8ROq |
| Name |
2,2,4,6,6-Pentamethyl-3-heptene |
| CAS Registry Number |
123-48-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.187800773 u |
| Formula |
C12H24 |
| InChI |
InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+ |
| InChIKey |
NBUMCEJRJRRLCA-CSKARUKUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.324 g/mol |
| Nominal Mass |
168 u |
| Quality |
986 |
| Retention Index |
1173 |
| SMILES |
C(C\C(=C\C(C)(C)C)C)(C)(C)C |
| SPLASH |
splash10-0a4j-9100000000-b0ac0a717d973693ddc7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
HSDB 5599
3-Heptene,2,2,4,6,6-Pentamethylheptene-3,2,2,4,6,6-pentamethyl
(E)-2,2,4,6,6-Pentamethylhept-3-ene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009730 |
