| SpectraBase Spectrum ID |
HGetmDdr2P4 |
| Name |
Mephentermine sulfate in kbr |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.260708184 u |
| Formula |
C22H40N2O6S |
| InChI |
InChI=1S/2C11H17N.H2O4S.2H2O/c2*1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2,3)4;;/h2*4-8,12H,9H2,1-3H3;(H2,1,2,3,4);2*1H2 |
| InChIKey |
JPESSSURNLGQRF-UHFFFAOYSA-N |
| SMILES |
O.OS(=O)(=O)O.N(C(CC1=CC=CC=C1)(C)C)C.N(C(CC=1C=CC=CC1)(C)C)C.O |
| Spectrum/Structure Validation Score (Raman) |
0.989482 |
