| SpectraBase Compound ID | GAfkcivFXL5 |
|---|---|
| InChI | InChI=1S/C42H62O12/c1-31(2)25-33-35-27-39-41(53-23-19-49-15-11-45-7-5-43-9-13-47-17-21-51-39)29-37(35)34(26-32(3)4)38-30-42-40(28-36(33)38)52-22-18-48-14-10-44-6-8-46-12-16-50-20-24-54-42/h27-32H,5-26H2,1-4H3 |
| InChIKey | HWZOUDJKKNMNNF-UHFFFAOYSA-N |
| Mol Weight | 758.9 g/mol |
| Molecular Formula | C42H62O12 |
| Exact Mass | 758.424127 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9B3rMDAFmGn |
|---|---|
| Name | 9,10-Bis(isobutyl)anthraceno-di-18-crown-6 |
| Alternate Name(s) | 18,37-diisobutyl-2,3,5,6,8,9,11,12,14,15,21,22,24,25,27,28,30,31,33,34-icosahydro[1,4,7,10,13,16]hexaoxacyclooctadecino[2',3':6,7]anthra[2,3-b][1,4,7,10,13,16]hexaoxacyclooctadecin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H62O12 |
| InChI | InChI=1S/C42H62O12/c1-31(2)25-33-35-27-39-41(53-23-19-49-15-11-45-7-5-43-9-13-47-17-21-51-39)29-37(35)34(26-32(3)4)38-30-42-40(28-36(33)38)52-22-18-48-14-10-44-6-8-46-12-16-50-20-24-54-42/h27-32H,5-26H2,1-4H3 |
| InChIKey | HWZOUDJKKNMNNF-UHFFFAOYSA-N |
| Molecular Weight | 758.946 g/mol |
| SMILES | c12c(c(CC(C)C)c3c(c2CC(C)C)cc2c(OCCOCCOCCOCCOCCO2)c3)cc2c(c1)OCCOCCOCCOCCOCCO2 |
| SPLASH | splash10-0a4i-0000000900-cda9709ebb151b67d15b |
| Source of Spectrum | F-54-6901-8 |
| Wiley ID | 807572 |