| SpectraBase Spectrum ID |
CTSaJ06A5tW |
| Name |
(2R*,3S*,5aR*,10aS*)-(2-Vinldecahydrodioxaheptalen-3-yl) p-bromobenzoic acid |
| Alternate Name(s) |
(1S,3R,4S,7R)-(3-ethenyl-2,8-dioxabicyclo[5.5.0]dodecan-4-yl) 4-bromobenzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23BrO4 |
| InChI |
InChI=1S/C19H23BrO4/c1-2-15-18(24-19(21)13-6-8-14(20)9-7-13)11-10-16-17(23-15)5-3-4-12-22-16/h2,6-9,15-18H,1,3-5,10-12H2/t15-,16-,17+,18+/m1/s1 |
| InChIKey |
AGIYSCGLPQAOFW-BDXSIMOUSA-N |
| Molecular Weight |
395.293 g/mol |
| SMILES |
[C@]1(O[C@@]2([C@@](CC[C@@]1(OC(c1ccc(cc1)Br)=O)[H])(OCCCC2)[H])[H])(C=C)[H] |
| SPLASH |
splash10-000i-2900000000-4e79f7c74d1ee24d6522 |
| Source of Spectrum |
J-59-2871-101-pBrBz |
| Wiley ID |
1366539 |
