SpectraBase Spectrum ID |
JI4yITPSTrc |
Name |
Dyclonine-A |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
204.115029753 u |
Formula |
C13H16O2 |
InChI |
InChI=1S/C13H16O2/c1-3-5-10-15-12-8-6-11(7-9-12)13(14)4-2/h4,6-9H,2-3,5,10H2,1H3 |
InChIKey |
CZBDUHWVJIGMRW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
204.269 g/mol |
Nominal Mass |
204 u |
Quality |
894 |
Retention Index |
1479 |
SMILES |
C1(C(C=C)=O)=CC=C(C=C1)OCCCC |
SPLASH |
splash10-00di-5910000000-6aa7713032c9279a2bb3 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(4-n-Butoxyphenyl)-2-propen-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_014571 |