| SpectraBase Spectrum ID |
InreNCJwS0K |
| Name |
2,3-Pentylone isomer HCl |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
11463 |
| CAS Registry Number |
2749428-57-5 |
| Cell Type |
Capillary tube |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18ClNO3 |
| IUPAC Name |
1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-pentanone, monohydrochloride |
| InChI |
InChI=1S/C13H17NO3.ClH/c1-3-5-10(14-2)12(15)9-6-4-7-11-13(9)17-8-16-11;/h4,6-7,10,14H,3,5,8H2,1-2H3;1H |
| InChIKey |
NAHQYOXMPVEVDR-UHFFFAOYSA-N |
| Molecular Weight |
271.744 g/mol |
| Purity |
>=98% |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Source |
Nd:YAG |
| SMILES |
Cl.N(C(C(c1cccc2c1OCO2)=O)CCC)C |
| Scans Performed |
2688 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
| UV - Neutral Conditions |
UVmax (nm): 231, 260, 345 |
