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4-(Dodecyloxy)salicylic acid
SpectraBase Compound ID BqB1OYRdPwb
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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BniprAYnAn
Name 4-(Dodecyloxy)salicylic acid
Comments Computed using SmartSpectra Model v1.42
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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