| SpectraBase Compound ID | 6WiFgjVL5d3 |
|---|---|
| InChI | InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,26-,27+/m0/s1 |
| InChIKey | VRBNGKPRTHBEIQ-ZAGWTKHKSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C27H43NO |
| Exact Mass | 397.334465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C95Tqxz7dFF |
|---|---|
| Name | Verazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.334465008 u |
| Formula | C27H43NO |
| InChI | InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,26-,27+/m0/s1 |
| InChIKey | VRBNGKPRTHBEIQ-ZAGWTKHKSA-N |
| Molecular Weight | 397.647 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(O)C4)C)CCC1C(C1=NCC(CC1)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913983 |