| SpectraBase Spectrum ID |
AfCGBpUxZ7f |
| Name |
Eseroline, 4'-methylphenylcarbamate(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.194677055 u |
| Formula |
C21H25N3O2 |
| InChI |
InChI=1S/C21H25N3O2/c1-14-5-7-15(8-6-14)22-20(25)26-16-9-10-18-17(13-16)21(2)11-12-23(3)19(21)24(18)4/h5-10,13,19H,11-12H2,1-4H3,(H,22,25) |
| InChIKey |
HSSFUESYZZQIIN-UHFFFAOYSA-N |
| Molecular Weight |
351.450 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)NC(OC1=CC2=C(C=C1)N(C)C1C2(CCN1C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862774 |
