SpectraBase Compound ID | BcF6tqwRitg |
---|---|
InChI | InChI=1S/C17H18O5/c1-2-21-15-10-13(16(18)17(19)20)8-9-14(15)22-11-12-6-4-3-5-7-12/h3-10,16,18H,2,11H2,1H3,(H,19,20) |
InChIKey | XNYGPUIXDMHNAP-UHFFFAOYSA-N |
Mol Weight | 302.33 g/mol |
Molecular Formula | C17H18O5 |
Exact Mass | 302.115424 g/mol |
SpectraBase Spectrum ID | 6kpKBvJEygY |
---|---|
Name | Benzeneacetic acid, 4-benzyloxy-3-ethoxy-.alpha.-hydroxy- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 302.115423675 u |
Formula | C17H18O5 |
InChI | InChI=1S/C17H18O5/c1-2-21-15-10-13(16(18)17(19)20)8-9-14(15)22-11-12-6-4-3-5-7-12/h3-10,16,18H,2,11H2,1H3,(H,19,20) |
InChIKey | XNYGPUIXDMHNAP-UHFFFAOYSA-N |
SMILES | C1(=CC=C(C=C1OCC)C(O)C(O)=O)OCC1=CC=CC=C1 |