| SpectraBase Spectrum ID |
JQdmbgZyBKS |
| Name |
1H-Cyclobuta[d]naphthalene, benzoic acid deriv. |
| CAS Registry Number |
130436-28-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25BrO2 |
| InChI |
InChI=1S/C20H25BrO2/c1-19-9-2-3-10-20(19)12-7-16(20)17(8-11-19)23-18(22)14-5-4-6-15(21)13-14/h4-6,13,16-17H,2-3,7-12H2,1H3/t16-,17+,19+,20-/m0/s1 |
| InChIKey |
XWMBQQCIXSTNQA-CUDHKJQZSA-N |
| Molecular Weight |
377.322 g/mol |
| SMILES |
[C@@]123[C@@]([C@](OC(c4cc(Br)ccc4)=O)(CC[C@@]1(C)CCCC2)[H])([H])CC3 |
| SPLASH |
splash10-003s-1900000000-bad56335a04ac66c1328 |
| Source of Spectrum |
J-56-465-14 |
| Synonyms |
Benzoic acid, 3-bromo-, decahydro-5a-methyl-1H-cyclobuta[d]naphthalen-3-yl ester, (2a.alpha.,3.alpha.,5a.alpha.,9aS*)-(.+-.)-
(1S(*),4R(*),8R(*))-8-methyltricyclo[6.4.0.0(1,4)]dodecan-5-yl-m-bromobenzoate
(2aR,3R,5aR,9aS)-5a-methyldecahydro-1H-cyclobuta[d]naphthalen-3-yl 3-bromobenzoate |
| Wiley ID |
1357687 |
![1H-Cyclobuta[d]naphthalene, benzoic acid deriv.](/api/spectrum/JQdmbgZyBKS/structure.png?h=300&w=458 "1H-Cyclobuta[d]naphthalene, benzoic acid deriv.")
