| SpectraBase Spectrum ID |
6ecGjja0xUF |
| Name |
5-Cyano-3,6-epoxy-3,4,5,6-tetrahydro-6-hydroxy-2-methyl-2-benzazocin-1(2H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2O3 |
| InChI |
InChI=1S/C13H12N2O3/c1-15-11-6-8(7-14)13(17,18-11)10-5-3-2-4-9(10)12(15)16/h2-5,8,11,17H,6H2,1H3/t8?,11-,13+/m0/s1 |
| InChIKey |
ACNCAAGOKDSNCF-XIWYHIBGSA-N |
| Molecular Weight |
244.250 g/mol |
| SMILES |
O[C@@]12O[C@@](N(C)C(c3c2cccc3)=O)([H])CC1C#N |
| SPLASH |
splash10-03di-0900000000-4db71300cc30f172fed5 |
| Source of Spectrum |
H1-37-288-13 |
| Synonyms |
1-hydroxy-9-methyl-8-oxo-13-oxa-9-azatricyclo[8.2.1.0(2,7)]trideca-2,4,6-triene-12-carbonitrile |
| Wiley ID |
755760 |
