| SpectraBase Spectrum ID |
7S3agV1nly0 |
| Name |
1,2,3,4,5,6-Hexahydro-8-nitro-3,6,11-trimethyl-2,6-methano-3-benzazocine, picrate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.149577332 u |
| Formula |
C21H23N5O9 |
| InChI |
InChI=1S/C15H20N2O2.C6H3N3O7/c1-10-14-8-11-4-5-12(17(18)19)9-13(11)15(10,2)6-7-16(14)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,9-10,14H,6-8H2,1-3H3;1-2,10H |
| InChIKey |
BPPXNYRBGAGFOZ-UHFFFAOYSA-N |
| Molecular Weight |
489.441 g/mol |
| SMILES |
N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)O.N(=O)(=O)C=1C=C2C3(C(C(CC2=CC1)N(C)CC3)C)C |
