SpectraBase Spectrum ID |
4i7przYUWd1 |
Name |
Phenmetrazine carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.120843408 u |
Formula |
C13H17NO3 |
InChI |
InChI=1S/C13H17NO3/c1-10-12(11-6-4-3-5-7-11)17-9-8-14(10)13(15)16-2/h3-7,10,12H,8-9H2,1-2H3 |
InChIKey |
XJWDOEPDBRIOHF-UHFFFAOYSA-N |
Molecular Weight |
235.283 g/mol |
SMILES |
C1CN(C(C(O1)C1=CC=CC=C1)C)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82492 |