| SpectraBase Spectrum ID |
Cp32QgMuXCB |
| Name |
(3S,4S,5S)-4,6-Dihydroxy-4,6-O-isopropylidene-3,5-dimethylhexanenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H19NO2 |
| InChI |
InChI=1S/C11H19NO2/c1-8(5-6-12)10-9(2)7-13-11(3,4)14-10/h8-10H,5,7H2,1-4H3/t8-,9-,10-/m0/s1 |
| InChIKey |
SGSPHVYKQUPFJR-GUBZILKMSA-N |
| Molecular Weight |
197.278 g/mol |
| SMILES |
C1(O[C@]([C@](CO1)(C)[H])([C@](CC#N)(C)[H])[H])(C)C |
| SPLASH |
splash10-0a4i-9100000000-960ae84b3223e2eaffd5 |
| Source of Spectrum |
KC-0-2657-16 |
| Synonyms |
(3R*,4R*,5R*)-4,6-Dihydroxy-4,6-O-isopropylidene-3,5-dimethylhexanenitrile
(3S)-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]butanenitrile |
| Wiley ID |
825941 |
