| SpectraBase Spectrum ID |
9qMyl9AfLdu |
| Name |
((3R,4S,5S)-5-Heptyl-4-hydroxy-tetrahydro-furan-3-yl)-acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-3-4-5-6-7-8-12-14(16)11(10-18-12)9-13(15)17-2/h11-12,14,16H,3-10H2,1-2H3/t11-,12+,14+/m1/s1 |
| InChIKey |
YGQWMJIUIXCTOH-DYEKYZERSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
[C@]1([C@@]([C@](CCCCCCC)(OC1)[H])(O)[H])(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896291 |
