| SpectraBase Spectrum ID |
DPexiTfiMp1 |
| Name |
(S)-3-methylheptanal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H16O |
| InChI |
InChI=1S/C8H16O/c1-3-4-5-8(2)6-7-9/h7-8H,3-6H2,1-2H3/t8-/m0/s1 |
| InChIKey |
KKFRYFDYAVLCHJ-QMMMGPOBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.201900177 |
| Molecular Weight |
128.215 g/mol |
| Optical Rotation |
[a]D = -6.5 (c = 0.8, CHCl3) |
| SMILES |
C(CC[C@@](CC=O)(C)[H])C |
| SPLASH |
splash10-053r-9000000000-616cabb4c2b0b127029c |
| Sample Comments |
83% ee |
| Source of Spectrum |
ASC-361-2647-(S)-(-)13, (S)-13 |
| Wiley ID |
1836661 |
