| SpectraBase Spectrum ID |
KmgErs6VsqR |
| Name |
3-(9-Anthrylhydroxymethyl)-1,7,7-bicyclo[2.2.1]heptan-2-one |
| Alternate Name(s) |
(1R,3S,4R)-3-(9-Anthrylhydroxymethyl)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26O2 |
| InChI |
InChI=1S/C25H26O2/c1-24(2)19-12-13-25(24,3)23(27)21(19)22(26)20-17-10-6-4-8-15(17)14-16-9-5-7-11-18(16)20/h4-11,14,19,21-22,26H,12-13H2,1-3H3/t19-,21+,22?,25+/m1/s1 |
| InChIKey |
PMNGPXDQRNFOOS-KTWQYVQESA-N |
| Molecular Weight |
358.481 g/mol |
| SMILES |
OC(c1c2c(cccc2)cc2c1cccc2)[C@]1(C([C@@]2(C)C([C@@]1(CC2)[H])(C)C)=O)[H] |
| SPLASH |
splash10-0002-0009000000-b270b5b434cf205f531c |
| Source of Spectrum |
QC-7-1610-2 |
| Wiley ID |
869259 |
![3-(9-Anthrylhydroxymethyl)-1,7,7-bicyclo[2.2.1]heptan-2-one](/api/spectrum/KmgErs6VsqR/structure.png?h=300&w=458 "3-(9-Anthrylhydroxymethyl)-1,7,7-bicyclo[2.2.1]heptan-2-one")
