| SpectraBase Spectrum ID |
DLfZPXKmqRV |
| Name |
18-Ethyl-7,16-dimethyl-2,19-methano-18-azapentacyclo[10.6.0.0(3,8).0(3,11).1(12,16)]nonadec-6-en-10-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.251129305 u |
| Formula |
C22H33NO2 |
| InChI |
InChI=1S/C22H33NO2/c1-4-23-12-20(3)8-6-10-22-15(20)11-14(17(22)23)21-9-5-7-13(2)18(21)25-19(24)16(21)22/h7,14-19,24H,4-6,8-12H2,1-3H3/t14-,15+,16-,17+,18+,19+,20-,21-,22-/m0/s1 |
| InChIKey |
VAZHWFXPDYUBAJ-UMIOGIRLSA-N |
| Molecular Weight |
343.511 g/mol |
| SMILES |
[C@@]123[C@@]4([C@@]5([C@](C(C)=CCC5)([H])O[C@]4(O)[H])[C@@]4([C@]2(N(CC)C[C@]([C@]1(C4)[H])(C)CCC3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818605 |
![18-Ethyl-7,16-dimethyl-2,19-methano-18-azapentacyclo[10.6.0.0(3,8).0(3,11).1(12,16)]nonadec-6-en-10-ol](/api/spectrum/DLfZPXKmqRV/structure.png?h=300&w=458 "18-Ethyl-7,16-dimethyl-2,19-methano-18-azapentacyclo[10.6.0.0(3,8).0(3,11).1(12,16)]nonadec-6-en-10-ol")
