| SpectraBase Spectrum ID |
DLoBfwBHO0H |
| Name |
2-[1,2,3,4,4A,5-Hexahydro-4A.alpha.,8-dimethyl-7(6H)-oxonapht-2-yl]-2-hydroxypropanenotrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-10-12-8-11(15(3,18)9-16)4-6-14(12,2)7-5-13(10)17/h11,18H,4-8H2,1-3H3/t11-,14-,15?/m1/s1 |
| InChIKey |
JVIYFDOXFHAWHU-MIHQHQCYSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C12=C(C(=O)CC[C@]2(CC[C@](C1)(C(C#N)(O)C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833953 |
![2-[1,2,3,4,4a,5-Hexahydro-4a.alpha.,8-dimethyl-7(6H)-oxonapht-2-yl]-2-hydroxypropanenotrile](/api/spectrum/DLoBfwBHO0H/structure.png?h=300&w=458 "2-[1,2,3,4,4a,5-Hexahydro-4a.alpha.,8-dimethyl-7(6H)-oxonapht-2-yl]-2-hydroxypropanenotrile")
