| SpectraBase Compound ID | KmCsRnyr1V4 |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h5,7,16H,4,6,8-15H2,1-3H3/b7-5- |
| InChIKey | NGSIJBMNVVHSAL-ALCCZGGFSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L4hG8xMKM2L |
|---|---|
| Name | 14-Methylpentadec-6(Z)-enoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h5,7,16H,4,6,8-15H2,1-3H3/b7-5- |
| InChIKey | NGSIJBMNVVHSAL-ALCCZGGFSA-N |
| SMILES | C(=O)(OC)CCCC\C=C/CCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9853 |