![Cyclopenta[5,6]naphth[2,1-c]azepin-3(2H)-one, 8.beta.-(1,5-dimethylhexyl)-1,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl-](/api/spectrum/DeKFDgmbM6e/structure.png?h=300&w=458 "Cyclopenta[5,6]naphth[2,1-c]azepin-3(2H)-one, 8.beta.-(1,5-dimethylhexyl)-1,4,5,5a,5b.alpha.,6,7,7a,8,9,10,10a.alpha.,10b.beta.,11,12,12a.alpha.-hexadecahydro-5a.beta.,7a.beta.-dimethyl-")
| SpectraBase Compound ID | GfdV7hlb5OH |
|---|---|
| InChI | InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28-25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29) |
| InChIKey | UODMDALAPDJWCN-UHFFFAOYSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C27H47NO |
| Exact Mass | 401.365765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DeKFDgmbM6e |
|---|---|
| Name | Cyclopenta[5,6]naphth[2,1-C]azepin-3(2H)-one, 8.beta.-(1,5-dimethylhexyl)-1,4,5,5A,5B.alpha.,6,7,7A,8,9,10,10A.alpha.,10B.beta.,11,12,12A.alpha.-hexadecahydro-5A.beta.,7A.beta.-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.365765136 u |
| Formula | C27H47NO |
| InChI | InChI=1S/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-28-25(29)14-16-26(20,4)24(21)13-15-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29) |
| InChIKey | UODMDALAPDJWCN-UHFFFAOYSA-N |
| Molecular Weight | 401.679 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(CC3)CNC(CC2)=O)CCC1C(CCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925159 |