| SpectraBase Spectrum ID |
Bs4PkqEe7sP |
| Name |
(3ar,5S,8ar,9ar)-3A,5,6,7,8,8A,9,9A-Octahydro-5,8A-dimethyl-3-(pyrrolidin-1-ylmethyl)naphtho[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 |
303.219829176 u |
| Formula |
C19H29NO2 |
| InChI |
InChI=1S/C19H29NO2/c1-13-6-5-7-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-8-3-4-9-20/h10,13-15,17H,3-9,11-12H2,1-2H3/t13-,14+,15?,17+,19+/m0/s1 |
| InChIKey |
CEOLCSAOVYREMC-UZRLAVFOSA-N |
| SMILES |
C[C@]1(CCC[C@]2(C1=C[C@@]1(C(C(O[C@]1([H])C2)=O)CN1CCCC1)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969613 |
![(3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-(pyrrolidin-1-ylmethyl)naphtho[2,3-b]furan-2(3H)-one](/api/spectrum/Bs4PkqEe7sP/structure.png?h=300&w=458 "(3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-(pyrrolidin-1-ylmethyl)naphtho[2,3-b]furan-2(3H)-one")
