| SpectraBase Spectrum ID |
HcJ6LuGmpud |
| Name |
(1S,2S)-1-(cyclohepta-2,4,6-trien-1-yl)-2-phenylbut-3-en-1-ol |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.135765199 u |
| Formula |
C17H18O |
| InChI |
InChI=1S/C17H18O/c1-2-16(14-10-8-5-9-11-14)17(18)15-12-6-3-4-7-13-15/h2-13,15-18H,1H2/t16-,17-/m0/s1 |
| InChIKey |
ZEICUIXMMALZAR-IRXDYDNUSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300121 |
| Molecular Weight |
238.330 g/mol |
| Optical Rotation |
[a]D20 = -13.1 (c = 1.0, CH2Cl2) |
| Quality |
921 |
| Reported Formula |
C17H18O |
| SMILES |
O[C@@](C1C=CC=CC=C1)([C@@](C=C)(C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-00kf-8900000000-0146df9343381abc27c2 |
| Sample Comments |
55% ee |
| Source of Spectrum |
ASC-365-SM8-5f (DOI: 10.1002/adsc.202300121) |
| Wiley ID |
1902744 |
