| SpectraBase Spectrum ID |
JEqoxN39wDg |
| Name |
1-Bromoheptane |
| CAS Registry Number |
629-04-9 |
| Classification |
Alkylating agent |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.035713483 u |
| Formula |
C7H15Br |
| InChI |
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3 |
| InChIKey |
LSXKDWGTSHCFPP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
179.101 g/mol |
| Nominal Mass |
178 u |
| Quality |
993 |
| Retention Index |
1071 |
| SMILES |
C(CCCBr)CCC |
| SPLASH |
splash10-0a4u-9200000000-957f07427dd4d3c33a50 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Heptyl bromide
n-Heptyl bromide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001597 |
