| SpectraBase Spectrum ID |
1vv6PDKkU2p |
| Name |
2-Acetoxy-10-(4-nitrobenzyl)-1,2,3,4,5,6-hexahydro-2,6-methano-1-benzoxacine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO5 |
| InChI |
InChI=1S/C21H21NO5/c1-14(23)26-21-11-3-5-17(13-21)19-6-2-4-16(20(19)27-21)12-15-7-9-18(10-8-15)22(24)25/h2,4,6-10,17H,3,5,11-13H2,1H3 |
| InChIKey |
KVCPBMQQUDDJCV-UHFFFAOYSA-N |
| Molecular Weight |
367.401 g/mol |
| SMILES |
C12(Oc3c(Cc4ccc(N(=O)=O)cc4)cccc3C(C1)CCC2)OC(=O)C |
| SPLASH |
splash10-00or-0009000000-2b6062bc22ec1b4d818e |
| Source of Spectrum |
KC-57-8461-17 |
| Wiley ID |
1626051 |
