| SpectraBase Spectrum ID |
9rouWTnNjqG |
| Name |
(3ar,5S,8ar,9ar)-3-[(Decylamino)methyl]-3A,5,6,7,8,8A,9,9A-octahydro-5,8A-dimethylnaphtho[2,3-B]furan-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.329379627 u |
| Formula |
C25H43NO2 |
| InChI |
InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-15-26-18-21-20-16-22-19(2)13-12-14-25(22,3)17-23(20)28-24(21)27/h16,19-21,23,26H,4-15,17-18H2,1-3H3/t19-,20+,21?,23+,25+/m0/s1 |
| InChIKey |
LWUJJMQPEQPDTP-AESUCIHSSA-N |
| Molecular Weight |
389.624 g/mol |
| SMILES |
C[C@]1(CCC[C@]2(C)C[C@]3(OC(=O)C(CNCCCCCCCCCC)[C@@]3([H])C=C12)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968207 |
![(3aR,5S,8aR,9aR)-3-[(Decylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one](/api/spectrum/9rouWTnNjqG/structure.png?h=300&w=458 "(3aR,5S,8aR,9aR)-3-[(Decylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one")
