SpectraBase Compound ID | BqB1OYRdPwb |
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InChI | InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-16-12-13-17(19(21)22)18(20)15-16/h12-13,15,20H,2-11,14H2,1H3,(H,21,22) |
InChIKey | QPOOMDFMBUZOQS-UHFFFAOYSA-N |
Mol Weight | 322.44 g/mol |
Molecular Formula | C19H30O4 |
Exact Mass | 322.214409 g/mol |
SpectraBase Spectrum ID | BniprAYnAn |
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Name | 4-(Dodecyloxy)salicylic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 322.214409442 u |
Formula | C19H30O4 |
InChI | InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-16-12-13-17(19(21)22)18(20)15-16/h12-13,15,20H,2-11,14H2,1H3,(H,21,22) |
InChIKey | QPOOMDFMBUZOQS-UHFFFAOYSA-N |
SMILES | OC1=C(C(O)=O)C=CC(=C1)OCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Raman) | 0.975804 |