| SpectraBase Spectrum ID |
Ay64bvOzFqs |
| Name |
Methyl (1R,4ar,10AR)-6-butyramido-1,4A-dimethyl-7-amino-1,2,3,4,4A.9,10,10A-octahydrophenanthrene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.241292895 u |
| Formula |
C22H32N2O3 |
| InChI |
InChI=1S/C22H32N2O3/c1-5-7-19(25)24-17-13-15-14(12-16(17)23)8-9-18-21(15,2)10-6-11-22(18,3)20(26)27-4/h12-13,18H,5-11,23H2,1-4H3,(H,24,25)/t18-,21+,22-/m1/s1 |
| InChIKey |
LLODDQNNJZHJIR-BVYCBKJFSA-N |
| Molecular Weight |
372.509 g/mol |
| SMILES |
[C@@]12(C=3C=C(NC(=O)CCC)C(=CC3CC[C@]1([C@@](C(=O)OC)(C)CCC2)[H])N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83589 |
