| SpectraBase Spectrum ID |
ExWjS45mZF |
| Name |
(S)-1-(cyclohepta-2,4,6-trien-1-yl)-2,2-dimethylbut-3-en-1-ol |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-4-13(2,3)12(14)11-9-7-5-6-8-10-11/h4-12,14H,1H2,2-3H3/t12-/m0/s1 |
| InChIKey |
KCABCWYXPZWAFB-LBPRGKRZSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300121 |
| Molecular Weight |
190.286 g/mol |
| Optical Rotation |
[a]D20 = +3.6 (c = 1.0, CH2Cl2) |
| Quality |
921 |
| Reported Formula |
C13H18O |
| SMILES |
O[C@@](C1C=CC=CC=C1)(C(C=C)(C)C)[H] |
| SPLASH |
splash10-0006-9200000000-41ed3ef82b9b2750f7b2 |
| Sample Comments |
86% ee |
| Source of Spectrum |
ASC-365-SM9-5h (DOI: 10.1002/adsc.202300121) |
| Wiley ID |
1902746 |
