SpectraBase Compound ID | KD0O8RbukAG |
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InChI | InChI=1S/C10H12O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChIKey | YBICPDGCVIUHNA-UHFFFAOYSA-N |
Mol Weight | 196.2 g/mol |
Molecular Formula | C10H12O4 |
Exact Mass | 196.073559 g/mol |
SpectraBase Spectrum ID | 6vMo14Ha7Ac |
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Name | p-(2-Methoxyethoxy)benzoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.073558862 u |
Formula | C10H12O4 |
InChI | InChI=1S/C10H12O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChIKey | YBICPDGCVIUHNA-UHFFFAOYSA-N |
Molecular Weight | 196.202 g/mol |
SMILES | OC(C1=CC=C(C=C1)OCCOC)=O |
Spectrum/Structure Validation Score (Raman) | 0.962808 |