| SpectraBase Spectrum ID |
JJCDRxZl8ka |
| Name |
IP isothiocyanate |
| Classification |
Phenethylamine designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
281.108564647 u |
| Formula |
C14H19NO3S |
| InChI |
InChI=1S/C14H19NO3S/c1-10(2)18-14-12(16-3)7-11(5-6-15-9-19)8-13(14)17-4/h7-8,10H,5-6H2,1-4H3 |
| InChIKey |
VVKBZZAFJLLXBI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
281.370 g/mol |
| Nominal Mass |
281 u |
| Quality |
983 |
| Retention Index |
2039 |
| SMILES |
C1(=C(C=C(C=C1OC)CCN=C=S)OC)OC(C)C |
| SPLASH |
splash10-014i-2930000000-3ea82362f3a2f9dba75b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-Isopropyloxy-3,5-dimethoxyphenyl)-1-isothiocyanatoethane
5-(2-isothiocyanatoethyl)-1,3-dimethoxy-2-(propan-2-yloxy)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_016926 |
