SpectraBase Compound ID | CYh8saruzyV |
---|---|
InChI | InChI=1S/C14H18O3/c1-3-4-10-17-13-8-7-12(6-5-9-15)11-14(13)16-2/h5-9,11H,3-4,10H2,1-2H3/b6-5+ |
InChIKey | OIYKOTPBQDKUJB-AATRIKPKSA-N |
Mol Weight | 234.29 g/mol |
Molecular Formula | C14H18O3 |
Exact Mass | 234.125594 g/mol |
SpectraBase Spectrum ID | 2w4R7nAU6X9 |
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Name | Coniferyl aldehyde, N-butyl ether |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 234.125594437 u |
Formula | C14H18O3 |
InChI | InChI=1S/C14H18O3/c1-3-4-10-17-13-8-7-12(6-5-9-15)11-14(13)16-2/h5-9,11H,3-4,10H2,1-2H3/b6-5+ |
InChIKey | OIYKOTPBQDKUJB-AATRIKPKSA-N |
Molecular Weight | 234.295 g/mol |
SMILES | C1(=CC(=C(C=C1)OCCCC)OC)\C=C\C=O |