| SpectraBase Spectrum ID |
Jze41iBGgfK |
| Name |
Methyl (9R,9aS)-9-(Nitromethyl)-2,3,9,9a-tetrahydro-1H-xanthren-9a-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO5 |
| InChI |
InChI=1S/C16H17NO5/c1-21-15(18)16-9-5-4-8-14(16)22-13-7-3-2-6-11(13)12(16)10-17(19)20/h2-3,6-8,12H,4-5,9-10H2,1H3/t12-,16+/m1/s1 |
| InChIKey |
OXXWXAWJXCJRMX-WBMJQRKESA-N |
| Molecular Weight |
303.314 g/mol |
| SMILES |
[C@]12(C(Oc3c([C@]2(CN(=O)=O)[H])cccc3)=CCCC1)C(=O)OC |
| SPLASH |
splash10-0002-0902000000-56b0401dd89d259abe77 |
| Source of Spectrum |
F4-44-779-5g |
| Wiley ID |
1706923 |
