| SpectraBase Spectrum ID |
AMSRVsllLdb |
| Name |
(1S,2R,5S)-5-Methyl-8-oxobicyclo[3.3.1]non-6-en-2-yl 4-bromobenzoate |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17BrO3 |
| InChI |
InChI=1S/C17H17BrO3/c1-17-8-6-14(19)13(10-17)15(7-9-17)21-16(20)11-2-4-12(18)5-3-11/h2-6,8,13,15H,7,9-10H2,1H3/t13-,15-,17+/m1/s1 |
| InChIKey |
CJYBBQCDVJEPSH-UNEWFSDZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901722 |
| Molecular Weight |
349.224 g/mol |
| Optical Rotation |
[a]D29 = +14.1 (c = 0.43, CHCl3) |
| Reported Formula |
C17H17O3Br |
| SMILES |
C1=CC([C@]2(C[C@@]1(CC[C@]2(OC(c1ccc(cc1)Br)=O)[H])C)[H])=O |
| SPLASH |
splash10-015i-0901000000-f856cce83cc88c20361e |
| Source of Spectrum |
U1-2020-SM4-18 |
| Wiley ID |
1858937 |
![(1S,2R,5S)-5-Methyl-8-oxobicyclo[3.3.1]non-6-en-2-yl 4-bromobenzoate](/api/spectrum/AMSRVsllLdb/structure.png?h=300&w=458 "(1S,2R,5S)-5-Methyl-8-oxobicyclo[3.3.1]non-6-en-2-yl 4-bromobenzoate")
