3-(4-bromophenyl)-1-(1.lambda.6,2.lambda.6,3.lambda.6,4.lambda.6,5.lambda.6,6.lambda.6,7.lambda.6,8.lambda.6,9.lambda.6,10.lambda.6,11.lambda.6,12.lambda.6-dodecaboranonadecacyclo[5.5.0.01,3.01,4.02,10.02,11.02,12.03,5.03,10.04,6.04,7.05,9.05,10.06,8.06,9.07,12.08,11.08,12.09,11]dodecan-1-yl)prop-2-en-1-ol
View entire compound with spectra: 1 MS (GC)
![3-(4-bromophenyl)-1-(1.lambda.6,2.lambda.6,3.lambda.6,4.lambda.6,5.lambda.6,6.lambda.6,7.lambda.6,8.lambda.6,9.lambda.6,10.lambda.6,11.lambda.6,12.lambda.6-dodecaboranonadecacyclo[5.5.0.01,3.01,4.02,10.02,11.02,12.03,5.03,10.04,6.04,7.05,9.05,10.06,8.06,9.07,12.08,11.08,12.09,11]dodecan-1-yl)prop-2-en-1-ol](/api/spectrum/Hp3mQlhOdaL/structure.png?h=300&w=458 "3-(4-bromophenyl)-1-(1.lambda.6,2.lambda.6,3.lambda.6,4.lambda.6,5.lambda.6,6.lambda.6,7.lambda.6,8.lambda.6,9.lambda.6,10.lambda.6,11.lambda.6,12.lambda.6-dodecaboranonadecacyclo[5.5.0.01,3.01,4.02,10.02,11.02,12.03,5.03,10.04,6.04,7.05,9.05,10.06,8.06,9.07,12.08,11.08,12.09,11]dodecan-1-yl)prop-2-en-1-ol")
| SpectraBase Compound ID | 6CnvwZuvn3o |
|---|---|
| InChI | InChI=1S/2C9H19B12BrO/c2*22-8-4-1-7(2-5-8)3-6-9(23)21-16-11-10-12(11,16)14(10)15(10)13(10,11)17(11,16,21)19(13,15,21)20(14,15,21)18(12,14,16)21/h2*1-6,9-20,23H |
| InChIKey | ZKEDLANNSGJHLW-UHFFFAOYSA-N |
| Mol Weight | 706 g/mol |
| Molecular Formula | C18H38B24Br2O2 |
| Exact Mass | 708.347181 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hp3mQlhOdaL |
|---|---|
| Name | 3-(4-bromophenyl)-1-(1.lambda.6,2.lambda.6,3.lambda.6,4.lambda.6,5.lambda.6,6.lambda.6,7.lambda.6,8.lambda.6,9.lambda.6,10.lambda.6,11.lambda.6,12.lambda.6-dodecaboranonadecacyclo[5.5.0.01,3.01,4.02,10.02,11.02,12.03,5.03,10.04,6.04,7.05,9.05,10.06,8.06,9.07,12.08,11.08,12.09,11]dodecan-1-yl)prop-2-en-1-ol |
| Appearance | Yellow amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 708.347180542 u |
| Formula | C18H38B24Br2O2 |
| InChI | InChI=1S/2C9H19B12BrO/c2*22-8-4-1-7(2-5-8)3-6-9(23)21-16-11-10-12(11,16)14(10)15(10)13(10,11)17(11,16,21)19(13,15,21)20(14,15,21)18(12,14,16)21/h2*1-6,9-20,23H |
| InChIKey | ZKEDLANNSGJHLW-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.202201275 |
| Molecular Weight | 705.748 g/mol |
| Quality | 7 |
| SMILES | OC([B]1234[BH]567[BH]448[BH]119[BH]22%10[BH]353[BH]656[BH]787[BH]668[BH]92([BH]4178)[BH]%10356)C=CC1=CC=C(C=C1)Br.OC([B]1234[BH]567[BH]448[BH]119[BH]22%10[BH]353[BH]656[BH]787[BH]668[BH]92([BH]4178)[BH]%10356)C=CC1=CC=C(C=C1)Br |
| SPLASH | splash10-02t9-0961000000-db936e8ed9de3c40ad77 |
| Source of Spectrum | K1-26-SM6-1d (DOI: 10.1002/ejoc.202201275) |
| Wiley ID | 1910482 |