| SpectraBase Spectrum ID |
EDaLJSl53rY |
| Name |
(1R,2R)-1-(cyclohepta-2,4,6-trien-1-yl)-2-methylbut-3-en-1-ol |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-3-10(2)12(13)11-8-6-4-5-7-9-11/h3-13H,1H2,2H3/t10-,12-/m1/s1 |
| InChIKey |
LFGITRCWIFVDQV-ZYHUDNBSSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300121 |
| Molecular Weight |
176.259 g/mol |
| Optical Rotation |
[a]D20 = -23.2 (c = 1.0, CH2Cl2) |
| Quality |
829 |
| Reported Formula |
C12H16O |
| SMILES |
O[C@@](C1C=CC=CC=C1)([C@@](C=C)(C)[H])[H] |
| SPLASH |
splash10-0006-9100000000-e8bc7db4228961c0ed9d |
| Sample Comments |
93% ee |
| Source of Spectrum |
ASC-365-SM6-5b (DOI: 10.1002/adsc.202300121) |
| Wiley ID |
1902740 |
