| SpectraBase Compound ID | 4AHrrscqxD7 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15,28H2,1-4H3 |
| InChIKey | KFPKZYPNUOEQSG-UHFFFAOYSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IG1mHaZlfzG |
|---|---|
| Name | 26-Aminofurost-5-en-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.345029691 u |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15,28H2,1-4H3 |
| InChIKey | KFPKZYPNUOEQSG-UHFFFAOYSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | C1C2C(C(C(O2)CCC(CN)C)C)C2(C1C1C(C3(C(=CC1)CC(O)CC3)C)CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938094 |