| SpectraBase Spectrum ID |
9Na2Fr16tW7 |
| Name |
dob-m (o-Demethyl-ho-) -H2O 2ac @P1159 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.026270995 u |
| Formula |
C14H16BrNO4 |
| InChI |
InChI=1S/C14H16BrNO4/c1-8(16-9(2)17)5-11-6-14(19-4)12(15)7-13(11)20-10(3)18/h5-7H,1-4H3,(H,16,17)/b8-5+ |
| InChIKey |
GFICKEZNIFMHCV-VMPITWQZSA-N |
| Molecular Weight |
342.189 g/mol |
| SMILES |
C=1(C=C(\C=C/(NC(C)=O)C)C(=CC1Br)OC(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948305 |
