| SpectraBase Compound ID | 8mKBEbDck1j |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-6-7-17(20)19-9-8-14-10-15(21-4)18(16(11-14)22-5)23-12-13(2)3/h10-11H,2,6-9,12H2,1,3-5H3,(H,19,20) |
| InChIKey | BSTFQVVPSTWMRB-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GTr69tfzTSC |
|---|---|
| Name | mal but |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-6-7-17(20)19-9-8-14-10-15(21-4)18(16(11-14)22-5)23-12-13(2)3/h10-11H,2,6-9,12H2,1,3-5H3,(H,19,20) |
| InChIKey | BSTFQVVPSTWMRB-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCNC(CCC)=O)OC)OCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931899 |