| SpectraBase Spectrum ID |
BLpCl59F1dz |
| Name |
3-(4-nitro-1H-pyrazol-5-yl)-1-adamantanol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17N3O3 |
| InChI |
InChI=1S/C13H17N3O3/c17-13-4-8-1-9(5-13)3-12(2-8,7-13)11-10(16(18)19)6-14-15-11/h6,8-9,17H,1-5,7H2,(H,14,15)/t8-,9+,12+,13- |
| InChIKey |
ZDDGHVMLUNJHTK-UHFFFAOYSA-N |
| Molecular Weight |
263.297 g/mol |
| SMILES |
O[C@]12C[C@]3(c4c(c[nH]n4)N(=O)=O)C[C@](C1)(C[C@@](C3)(C2)[H])[H] |
| SPLASH |
splash10-0002-0090000000-178d1b2f923095e890e1 |
| Source of Spectrum |
KC-0-2051-3 |
| Synonyms |
3-(4-nitro-1H-pyrazol-5-yl)adamantan-1-ol |
| Wiley ID |
830854 |
