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N-[2-(3,4-Dihydroxyphenyl)ethyl]-1-adamantanecarboxamide, diacetate

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N-[2-(3,4-Dihydroxyphenyl)ethyl]-1-adamantanecarboxamide, diacetate
SpectraBase Compound ID 6nwNMdO24hw
InChI InChI=1S/C23H29NO5/c1-14(25)28-20-4-3-16(10-21(20)29-15(2)26)5-6-24-22(27)23-11-17-7-18(12-23)9-19(8-17)13-23/h3-4,10,17-19H,5-9,11-13H2,1-2H3,(H,24,27)/t17-,18+,19-,23-
InChIKey SHINEDJULLBFET-CDIPDJBESA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xxFZbLNhoS
Name N-[2-(3,4-Dihydroxyphenyl)ethyl]-1-adamantanecarboxamide, diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.204573033 u
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-14(25)28-20-4-3-16(10-21(20)29-15(2)26)5-6-24-22(27)23-11-17-7-18(12-23)9-19(8-17)13-23/h3-4,10,17-19H,5-9,11-13H2,1-2H3,(H,24,27)/t17-,18+,19-,23-
InChIKey SHINEDJULLBFET-CDIPDJBESA-N
Molecular Weight 399.487 g/mol
SMILES C(NCCC1=CC(OC(C)=O)=C(C=C1)OC(C)=O)(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]