| SpectraBase Spectrum ID |
6ZYQQbP72b2 |
| Name |
(S)-1-(1-(4-methoxyphenyl)propan-2-yl)cyclopentadecan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-22(21-23-15-17-24(27-2)18-16-23)25(26)19-13-11-9-7-5-3-4-6-8-10-12-14-20-25/h15-18,22,26H,3-14,19-21H2,1-2H3/t22-/m0/s1 |
| InChIKey |
STMHKPSOJLTOAS-QFIPXVFZSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
374.609 g/mol |
| Optical Rotation |
[a]D20 = -7.5 (c = 1.17, CHCl3) |
| Quality |
37 |
| Reported Formula |
C25H42O2 |
| SMILES |
OC1([C@](CC2=CC=C(OC)C=C2)(C)[H])CCCCCCCCCCCCCC1 |
| SPLASH |
splash10-00di-0910000000-ae5a2483df03d50ee59d |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-62-SM63-(S)-4k (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908242 |
