| SpectraBase Spectrum ID |
S27J2ZirI |
| Name |
1-(4-tert-Butylphenyl)-2-nitroprop-1-ene |
| CAS Registry Number |
136027-28-6 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.125928789 u |
| Formula |
C13H17NO2 |
| InChI |
InChI=1S/C13H17NO2/c1-10(14(15)16)9-11-5-7-12(8-6-11)13(2,3)4/h5-9H,1-4H3/b10-9- |
| InChIKey |
PHMGNXVYCKXTSI-KTKRTIGZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.284 g/mol |
| Nominal Mass |
219 u |
| Quality |
887 |
| Retention Index |
1749 |
| SMILES |
C=1(C(C)(C)C)C=CC(=CC1)\C=C\([N+](=O)[O-])C |
| SPLASH |
splash10-0aor-4920000000-0f72722ea3a73280a7c2 |
| Sample Comments |
cis/trans isomerism uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2-Methyl-2-propanyl)-4-(2-nitro-1-propen-1-yl)benzene
1-tert-butyl-4-(2-nitroprop-1-en-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024355 |
