| SpectraBase Spectrum ID |
GQ3e6OHzps3 |
| Name |
(S)-1-(2-Oxo-2H-pyran-6-yl)propan-2-yl pent-4-enoate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-3-4-7-12(14)16-10(2)9-11-6-5-8-13(15)17-11/h3,5-6,8,10H,1,4,7,9H2,2H3/t10-/m0/s1 |
| InChIKey |
CGUQHTPDAPAEMD-JTQLQIEISA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602125 |
| Molecular Weight |
236.267 g/mol |
| Optical Rotation |
[a]D20 = +49.3 (c = 1.0, CHCl3) |
| Quality |
83 |
| Reported Formula |
C13H16O4 |
| SMILES |
C1(C[C@@](OC(CCC=C)=O)(C)[H])=CC=CC(O1)=O |
| SPLASH |
splash10-052r-2900000000-978e8fd52cb1f1fc63f7 |
| Source of Spectrum |
ACI-55-SM5-15 (DOI: 10.1002/anie.201602125) |
| Wiley ID |
1897457 |
