| SpectraBase Spectrum ID |
5t8pnsvqFhw |
| Name |
tert-butyl 3-((S)-2-((1R,3S,5R,7R)-2-hydroxyadamantan-2-yl)propyl)benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.250794952 u |
| Formula |
C24H34O3 |
| InChI |
InChI=1S/C24H34O3/c1-15(24(26)20-11-17-9-18(13-20)14-21(24)12-17)8-16-6-5-7-19(10-16)22(25)27-23(2,3)4/h5-7,10,15,17-18,20-21,26H,8-9,11-14H2,1-4H3/t15-,17-,18+,20-,21+,24-/m0/s1 |
| InChIKey |
WZUNRKHPYLFNMR-BWRIKCSGSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
370.533 g/mol |
| Optical Rotation |
[a]D20 = -9.3 (c = 1.26, CHCl3) |
| Quality |
80 |
| Reported Formula |
C24H35O3 |
| SMILES |
OC1([C@](CC=2C=CC=C(C2)C(OC(C)(C)C)=O)(C)[H])[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| SPLASH |
splash10-0udi-3900000000-1a1397fd938c5152e624 |
| Sample Comments |
95% ee |
| Source of Spectrum |
ACI-62-SM74-(S)-4r (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908246 |
