| SpectraBase Spectrum ID |
2lZtlmAJToe |
| Name |
1-Bromo-4-methylcyclohexane |
| CAS Registry Number |
6294-40-2 |
| 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 |
176.020063419 u |
| Formula |
C7H13Br |
| InChI |
InChI=1S/C7H13Br/c1-6-2-4-7(8)5-3-6/h6-7H,2-5H2,1H3 |
| InChIKey |
RLOHLPHAOHGRNM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
177.085 g/mol |
| Nominal Mass |
176 u |
| Quality |
987 |
| Retention Index |
1100 |
| SMILES |
C1(CCC(CC1)C)Br |
| SPLASH |
splash10-052b-9000000000-6c6dd5093d95ddab967c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Bromo-4-methyl-cyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000315 |
