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(Phenylthio)acetic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

(Phenylthio)acetic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 8cp0o6mkoKJ
InChI InChI=1S/C20H26O2S/c21-19(14-23-18-4-2-1-3-5-18)22-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2/t15-,16+,17-,20+
InChIKey MVJMRHGNZUBBPJ-FRIOTGHOSA-N
Mol Weight 330.49 g/mol
Molecular Formula C20H26O2S
Exact Mass 330.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq7u6UOTIDf
Name (Phenylthio)acetic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 330.165351249 u
Formula C20H26O2S
InChI InChI=1S/C20H26O2S/c21-19(14-23-18-4-2-1-3-5-18)22-7-6-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-5,15-17H,6-14H2/t15-,16+,17-,20+
InChIKey MVJMRHGNZUBBPJ-FRIOTGHOSA-N
Molecular Weight 330.486 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CCOC(CSC1=CC=CC=C1)=O