| SpectraBase Spectrum ID |
DUjVjRFQvEY |
| Name |
(1R,4R)-4-(Benzylcarbamoyl)cyclobut-2-ene-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.105193344 u |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-18-14(17)12-8-7-11(12)13(16)15-9-10-5-3-2-4-6-10/h2-8,11-12H,9H2,1H3,(H,15,16)/t11-,12-/m1/s1 |
| InChIKey |
XZAXILMDQGTVCQ-VXGBXAGGSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C1=C[C@]([C@@]1(C(NCC=1C=CC=CC1)=O)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957281 |
