| SpectraBase Spectrum ID |
FoHbcv6VZC2 |
| Name |
(Ra)-7-chlorohepta-2,3-dien-5-yn-1-ol |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
142.018542544 u |
| Formula |
C7H7ClO |
| InChI |
InChI=1S/C7H7ClO/c8-6-4-2-1-3-5-7-9/h1,5,9H,6-7H2 |
| InChIKey |
BRBJAAXWYUMXBE-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202112427 |
| Molecular Weight |
142.585 g/mol |
| Optical Rotation |
[a]D26 = -229.5 (c = 1.09, EtOH), [a]D22 = -163 (c = 1, EtOH) |
| Quality |
20 |
| Reported Formula |
C7H7ClO |
| SMILES |
OCC(=[C@@]=C(C#CCCl)[H])[H] |
| SPLASH |
splash10-004i-9000000000-9b80204fe6afbb2eaf15 |
| Sample Comments |
94% ee, (-)-scorodonin |
| Source of Spectrum |
ACI-61-SM56-(-)-scorodonin, wgl-5-016 (DOI: 10.1002/anie.202112427) |
| Wiley ID |
1897998 |
