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

*Links on SpectraBase are not permalinks.

4-(Propoxycarbonyl)phenyl 1-adamantanecarboxylate

View entire compound with spectra: 2 NMR

4-(Propoxycarbonyl)phenyl 1-adamantanecarboxylate
SpectraBase Compound ID F79MtY7CmHB
InChI InChI=1S/C21H26O4/c1-2-7-24-19(22)17-3-5-18(6-4-17)25-20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,2,7-13H2,1H3/t14-,15+,16-,21-
InChIKey PWYLHTBXKGGUOL-OFIQSVQDSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID E7lxGFXncdS
Name 4-(Propoxycarbonyl)phenyl 1-adamantanecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.183109313 u
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-2-7-24-19(22)17-3-5-18(6-4-17)25-20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16H,2,7-13H2,1H3/t14-,15+,16-,21-
InChIKey PWYLHTBXKGGUOL-OFIQSVQDSA-N
Molecular Weight 342.435 g/mol
SMILES C12(C(OC=3C=CC(C(=O)OCCC)=CC3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]