| SpectraBase Compound ID | Kp7mkvdmDYh |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-22-12-8-19-24(3)11-5-10-23(2,17-29-21(27)7-6-20(26)28-4)18(24)9-13-25(19,16-22)15-14-22/h14-15,18-19H,5-13,16-17H2,1-4H3/t18-,19+,22-,23+,24-,25+/m1/s1 |
| InChIKey | CNEWEMXPRRKCTL-LAXOWTJVSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F9V2qwSJ3Bh |
|---|---|
| Name | Beyer-15-en-18-yl methyl butanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.277009700 u |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-22-12-8-19-24(3)11-5-10-23(2,17-29-21(27)7-6-20(26)28-4)18(24)9-13-25(19,16-22)15-14-22/h14-15,18-19H,5-13,16-17H2,1-4H3/t18-,19+,22-,23+,24-,25+/m1/s1 |
| InChIKey | CNEWEMXPRRKCTL-LAXOWTJVSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | C(CCC(=O)OC[C@@]1(CCC[C@]2(C)[C@]1([H])CC[C@]13[C@@]2([H])CC[C@@](C3)(C=C1)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975302 |