For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Thiophene-2-acetic acid, 2-adamantyl ester

View entire compound with spectra: 1 NMR

Thiophene-2-acetic acid, 2-adamantyl ester
SpectraBase Compound ID 8mNZZTJTmLY
InChI InChI=1S/C16H20O2S/c17-15(9-14-2-1-3-19-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2/t10-,11+,12-,13+,16-
InChIKey MNRZUAFURNBDOG-QXBYOMFKSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID i6BOiod8eB
Name Thiophene-2-acetic acid, 2-adamantyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.118401056 u
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c17-15(9-14-2-1-3-19-14)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2/t10-,11+,12-,13+,16-
InChIKey MNRZUAFURNBDOG-QXBYOMFKSA-N
Molecular Weight 276.394 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2OC(=O)CC=2SC=CC2)(C[C@](C1)(C3)[H])[H])[H])[H]