| SpectraBase Spectrum ID |
Ces1x79ouuk |
| Name |
3-Adamantyl-5-(t-butyl)-3-hydroxybenzaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-20(2,3)17-7-16(12-22)19(18(23)8-17)21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,12-15,23H,4-6,9-11H2,1-3H3/t13-,14+,15-,21- |
| InChIKey |
RVXQDJWDDBGDPE-FZUGUKJMSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
Oc1c(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])c(cc(c1)C(C)(C)C)C=O |
| SPLASH |
splash10-01ot-0096000000-36f7f6730cc258ba887d |
| Source of Spectrum |
QE-14-11549-B |
| Wiley ID |
1692488 |
