| SpectraBase Spectrum ID |
8GdL4v3yfFA |
| Name |
1C-B |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
245.005141628 u |
| Formula |
C9H12BrNO2 |
| InChI |
InChI=1S/C9H12BrNO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5,11H2,1-2H3 |
| InChIKey |
QLPHYDUVAFPRGJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
246.104 g/mol |
| Nominal Mass |
245 u |
| Quality |
942 |
| Retention Index |
1757 |
| SMILES |
NCC1=C(C=C(C(=C1)OC)Br)OC |
| SPLASH |
splash10-03xs-3590000000-9f0fef0af31b7a62cfde |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Bromo-2,5-dimethoxybenzylamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019907 |
