| SpectraBase Spectrum ID |
5pIV0uNWXrJ |
| Name |
(+-)-1-[(3S,4S,5S)-4-(2,2-dimethylpropanoyl)-5-(hydroxymethyl)tetrahydro-3-furanyl]-3,3-dimethyl-2-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-15(2,3)12(18)7-10-9-20-11(8-17)13(10)14(19)16(4,5)6/h10-11,13,17H,7-9H2,1-6H3/t10-,11-,13+/m1/s1 |
| InChIKey |
KXUQLRNLXJDJIZ-WZRBSPASSA-N |
| SMILES |
C(C(C(C)(C)C)=O)[C@@]1(CO[C@@]([C@]1(C(C(C)(C)C)=O)[H])(CO)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924992 |
![(+-)-1-[(3S,4S,5S)-4-(2,2-dimethylpropanoyl)-5-(hydroxymethyl)tetrahydro-3-furanyl]-3,3-dimethyl-2-butanone](/api/spectrum/5pIV0uNWXrJ/structure.png?h=300&w=458 "(+-)-1-[(3S,4S,5S)-4-(2,2-dimethylpropanoyl)-5-(hydroxymethyl)tetrahydro-3-furanyl]-3,3-dimethyl-2-butanone")
