| SpectraBase Spectrum ID |
3qwQuN2LJo |
| Name |
3-Methylideneheptane |
| CAS Registry Number |
1632-16-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
112.125200515 u |
| Formula |
C8H16 |
| InChI |
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3 |
| InChIKey |
XTVRLCUJHGUXCP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
112.216 g/mol |
| Nominal Mass |
112 u |
| Quality |
986 |
| Retention Index |
772 |
| SMILES |
C(CCCC)(CC)=C |
| SPLASH |
splash10-05fu-9000000000-ffef8f0d4d0dab9b23a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylideneheptane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026610 |
