| SpectraBase Spectrum ID |
HxXE8KRVlxR |
| Name |
3-((2S,5S)-7-Pivaloyl-1-oxa-7-azaspiro[4.5]decan-2-yl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.199428083 u |
| Formula |
C16H26N2O2 |
| InChI |
InChI=1S/C16H26N2O2/c1-15(2,3)14(19)18-11-5-8-16(12-18)9-7-13(20-16)6-4-10-17/h13H,4-9,11-12H2,1-3H3/t13-,16-/m0/s1 |
| InChIKey |
ZAOPYDJCEZHOEF-BBRMVZONSA-N |
| Molecular Weight |
278.396 g/mol |
| SMILES |
C(CC[C@@]1(O[C@]2(CN(CCC2)C(C(C)(C)C)=O)CC1)[H])#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88107 |
![3-((2S,5S)-7-Pivaloyl-1-oxa-7-azaspiro[4.5]decan-2-yl)propanenitrile](/api/spectrum/HxXE8KRVlxR/structure.png?h=300&w=458 "3-((2S,5S)-7-Pivaloyl-1-oxa-7-azaspiro[4.5]decan-2-yl)propanenitrile")
