| SpectraBase Spectrum ID |
FArSblqJ7h0 |
| Name |
bk-2C-B Enol 2ac P1245 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.021185614 u |
| Formula |
C14H16BrNO5 |
| InChI |
InChI=1S/C14H16BrNO5/c1-8(17)16-7-14(21-9(2)18)10-5-13(20-4)11(15)6-12(10)19-3/h5-7H,1-4H3,(H,16,17)/b14-7- |
| InChIKey |
SYJMGVFZPMTNFN-AUWJEWJLSA-N |
| Molecular Weight |
358.188 g/mol |
| SMILES |
C=1(C=C(C(=CC1Br)OC)\C(=C\NC(=O)C)OC(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96226 |
