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Carbanilic acid, p-menth-3-yl ester

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Carbanilic acid, p-menth-3-yl ester
SpectraBase Compound ID 84JaHBrF9t2
InChI InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/s2
InChIKey HDPFJNHRRLYGLW-XNBPVICASA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tzJroPkpF0
Name Carbanilic acid, p-menth-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 275.188529047 u
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/s2
InChIKey HDPFJNHRRLYGLW-XNBPVICASA-N
Molecular Weight 275.392 g/mol
SMILES N(C=1C=CC=CC1)C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O