SpectraBase Compound ID | 8DJQTtitYAW |
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InChI | InChI=1S/C23H38O2/c1-4-6-7-8-9-10-11-12-13-14-18-21(5-2)25-23(24)22-19-16-15-17-20(22)3/h15-17,19,21H,4-14,18H2,1-3H3 |
InChIKey | WUOZPZGNWDBHIV-UHFFFAOYSA-N |
Mol Weight | 346.6 g/mol |
Molecular Formula | C23H38O2 |
Exact Mass | 346.28718 g/mol |
SpectraBase Spectrum ID | IKiSXrfBEFv |
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Name | o-Toluic acid, 3-pentadecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 346.287180462 u |
Formula | C23H38O2 |
InChI | InChI=1S/C23H38O2/c1-4-6-7-8-9-10-11-12-13-14-18-21(5-2)25-23(24)22-19-16-15-17-20(22)3/h15-17,19,21H,4-14,18H2,1-3H3 |
InChIKey | WUOZPZGNWDBHIV-UHFFFAOYSA-N |
Molecular Weight | 346.555 g/mol |
SMILES | C1=CC=C(C(=C1)C)C(OC(CCCCCCCCCCCC)CC)=O |