| SpectraBase Spectrum ID |
DOBuZogugbl |
| Name |
(R)-1-(cyclohepta-2,4,6-trien-1-yl)but-3-yn-1-ol |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
160.088815005 u |
| Formula |
C11H12O |
| InChI |
InChI=1S/C11H12O/c1-2-7-11(12)10-8-5-3-4-6-9-10/h1,3-6,8-12H,7H2/t11-/m1/s1 |
| InChIKey |
JZMGLIRFRNIQSO-LLVKDONJSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300121 |
| Molecular Weight |
160.216 g/mol |
| Optical Rotation |
[a]D20 = +7.9 (c = 1.0, CH2Cl2) |
| Quality |
601 |
| Reported Formula |
C11H12O |
| SMILES |
O[C@@](C1C=CC=CC=C1)(CC#C)[H] |
| SPLASH |
splash10-0006-9100000000-bad436b56b8345f02de4 |
| Sample Comments |
80% ee |
| Source of Spectrum |
ASC-365-SM10-5j (DOI: 10.1002/adsc.202300121) |
| Wiley ID |
1902748 |
