SpectraBase Compound ID | H9xMSHDk2w9 |
---|---|
InChI | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1 |
InChIKey | ZHMMPVANGNPCBW-ZCFIWIBFSA-N |
Mol Weight | 166.18 g/mol |
Molecular Formula | C9H10O3 |
Exact Mass | 166.062994 g/mol |
SpectraBase Spectrum ID | GNq67CABvBv |
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Name | (2R)-2-(4-Hydroxyphenyl)propanoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.062994179 u |
Formula | C9H10O3 |
InChI | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1 |
InChIKey | ZHMMPVANGNPCBW-ZCFIWIBFSA-N |
SMILES | [C@](C(O)=O)(C)(C1=CC=C(C=C1)O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878565 |