| SpectraBase Spectrum ID |
1z2iBgRsyYq |
| Name |
1-Nitro-adamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
181.110278725 u |
| Formula |
C10H15NO2 |
| InChI |
InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/t7-,8+,9-,10- |
| InChIKey |
HONLSNLUVRQMEK-CHIWXEEVSA-N |
| Molecular Weight |
181.235 g/mol |
| SMILES |
C12(N(=O)=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817026 |
