| SpectraBase Compound ID | 8Fq4FLPjmwy |
|---|---|
| InChI | InChI=1S/C27H27N3O/c1-27(2,21-11-5-3-6-12-21)29-26(31)20-15-16-25-23(19-20)22-13-7-8-14-24(22)30(25)18-10-4-9-17-28/h3,5-8,11-16,19H,4,9-10,18H2,1-2H3,(H,29,31) |
| InChIKey | ZSRKLDXCDUXUKY-UHFFFAOYSA-N |
| Mol Weight | 409.53 g/mol |
| Molecular Formula | C27H27N3O |
| Exact Mass | 409.215413 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3LqSfcAWd65 |
|---|---|
| Name | 4-cyano CUMYL-BUTCZCA |
| Catalog Number | 24429 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H27N3O |
| InChI | InChI=1S/C27H27N3O/c1-27(2,21-11-5-3-6-12-21)29-26(31)20-15-16-25-23(19-20)22-13-7-8-14-24(22)30(25)18-10-4-9-17-28/h3,5-8,11-16,19H,4,9-10,18H2,1-2H3,(H,29,31) |
| InChIKey | ZSRKLDXCDUXUKY-UHFFFAOYSA-N |
| Molecular Weight | 409.533 g/mol |
| SMILES | N(C(=O)c1cc2c([n](CCCCC#N)c3c2cccc3)cc1)C(C)(C)c1ccccc1 |
| SPLASH | splash10-004i-0490100000-c0169c8c84aa0fe7e668 |
| Source of Spectrum | CAY-2023-195-0 |
| Synonyms | CUMYL-4CN-BCZCA CUMYL-4-cyano BUTCZCA CUMYL-CYBCZCA |
| Wiley ID | 1888161 |