SpectraBase Spectrum ID |
Ip0wXMsywxI |
Name |
2,3-Dihydro-7-[(dimethylamino)methyl]-3-hydroxy-5-methyl-2,2-benzofurandicarboxylic acid, diethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.168187523 u |
Formula |
C18H25NO6 |
InChI |
InChI=1S/C18H25NO6/c1-6-23-16(21)18(17(22)24-7-2)15(20)13-9-11(3)8-12(10-19(4)5)14(13)25-18/h8-9,15,20H,6-7,10H2,1-5H3 |
InChIKey |
WUFZFTGLJGUHEZ-UHFFFAOYSA-N |
Molecular Weight |
351.399 g/mol |
SMILES |
OC1C(OC=2C(=CC(=CC12)C)CN(C)C)(C(OCC)=O)C(OCC)=O |
Spectrum/Structure Validation Score (Raman) |
0.950005 |