| SpectraBase Spectrum ID |
KxH85Q9FeQe |
| Name |
(+)-diformylcathine;cisoide-isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.089543280 u |
| Formula |
C11H13NO3 |
| InChI |
InChI=1S/C11H13NO3/c1-9(12-7-13)11(15-8-14)10-5-3-2-4-6-10/h2-9,11H,1H3,(H,12,13)/t9-,11+/m0/s1 |
| InChIKey |
UAYZIUSHYMDSPD-GXSJLCMTSA-N |
| Molecular Weight |
207.229 g/mol |
| SMILES |
C(=O)N[C@]([C@](C1=CC=CC=C1)(OC=O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868957 |
