| SpectraBase Spectrum ID |
B6F9ZjP1gjm |
| Name |
N-Acetyl-13,14,15,16-tetranorlabd-8(17)-en-12-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.240564621 u |
| Formula |
C18H31NO |
| InChI |
InChI=1S/C18H31NO/c1-13-7-8-16-17(3,4)10-6-11-18(16,5)15(13)9-12-19-14(2)20/h15-16H,1,6-12H2,2-5H3,(H,19,20)/t15?,16?,18-/m1/s1 |
| InChIKey |
AAOLFACZFDCGON-LEOMRAHMSA-N |
| Molecular Weight |
277.452 g/mol |
| SMILES |
C(=O)(NCCC1[C@@]2(C(C(C)(C)CCC2)CCC1=C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89488 |
