SpectraBase Spectrum ID |
GD150nD2CXn |
Name |
[4-[(Tetrahydrofuran-2-ylmethyl)carbamoyl]phenyl]carbamic acid, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.126657064 u |
Formula |
C14H18N2O4 |
InChI |
InChI=1S/C14H18N2O4/c1-19-14(18)16-11-6-4-10(5-7-11)13(17)15-9-12-3-2-8-20-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18) |
InChIKey |
PGECYZDVCGBWNW-UHFFFAOYSA-N |
SMILES |
C1=CC(=CC=C1NC(OC)=O)C(=O)NCC1CCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846047 |