| SpectraBase Spectrum ID |
Kw2Ft0Hxzz2 |
| Name |
1H-Indene, 2,3,3A,4,5,7A-hexahydro-5-methyl-4-nitro-, (3A.alpha.,4.alpha.,5.beta.,7A.alpha.)-(.+-.)- |
| 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/c1-7-5-6-8-3-2-4-9(8)10(7)11(12)13/h5-10H,2-4H2,1H3/t7-,8+,9+,10+/m0/s1 |
| InChIKey |
BEKCSYWEUMNGNI-SGIHWFKDSA-N |
| Molecular Weight |
181.235 g/mol |
| SMILES |
[C@@]1(N(=O)=O)([C@]2([C@@](CCC2)([H])C=C[C@@]1(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813482 |
