| SpectraBase Spectrum ID |
AHaOmzpHlWt |
| Name |
1-{[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy}-2-nitrobenzene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.167793602 u |
| Formula |
C16H23NO3 |
| InChI |
InChI=1S/C16H23NO3/c1-11(2)13-9-8-12(3)10-16(13)20-15-7-5-4-6-14(15)17(18)19/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13+,16-/m1/s1 |
| InChIKey |
FBZKLPSIJNSAML-DVOMOZLQSA-N |
| SMILES |
C=1(N(=O)=O)C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=CC=CC1 |
![1-{[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy}-2-nitrobenzene](/api/spectrum/AHaOmzpHlWt/structure.png?h=300&w=458 "1-{[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy}-2-nitrobenzene")
