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1,2-Benzendiol, o-(1-adamantanecarbonyl)-o'-isobutyryl-

View entire compound with spectra: 1 NMR

1,2-Benzendiol, o-(1-adamantanecarbonyl)-o'-isobutyryl-
SpectraBase Compound ID JHTpVJtzVLh
InChI InChI=1S/C21H26O4/c1-13(2)19(22)24-17-5-3-4-6-18(17)25-20(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3/t14-,15+,16-,21-
InChIKey WUTKXHXIPFWXIS-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

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SpectraBase Spectrum ID 7VRS3igMG7c
Name 1,2-Benzendiol, o-(1-adamantanecarbonyl)-o'-isobutyryl-
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/c1-13(2)19(22)24-17-5-3-4-6-18(17)25-20(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,7-12H2,1-2H3/t14-,15+,16-,21-
InChIKey WUTKXHXIPFWXIS-OFIQSVQDSA-N
Molecular Weight 342.435 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C)C)OC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O