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N-(1-adamantylmethyl)-2-keto-6-nitro-chromene-3-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(1-adamantylmethyl)-2-keto-6-nitro-chromene-3-carboxamide
SpectraBase Compound ID ATGUoeUWhSe
InChI InChI=1S/C21H22N2O5/c24-19(22-11-21-8-12-3-13(9-21)5-14(4-12)10-21)17-7-15-6-16(23(26)27)1-2-18(15)28-20(17)25/h1-2,6-7,12-14H,3-5,8-11H2,(H,22,24)
InChIKey DBEBAWRSMMLPGM-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXAXhv0NrPE
Name N-(1-Adamantylmethyl)-2-keto-6-nitro-chromene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.152871811 u
Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c24-19(22-11-21-8-12-3-13(9-21)5-14(4-12)10-21)17-7-15-6-16(23(26)27)1-2-18(15)28-20(17)25/h1-2,6-7,12-14H,3-5,8-11H2,(H,22,24)
InChIKey DBEBAWRSMMLPGM-UHFFFAOYSA-N
Molecular Weight 382.416 g/mol
SMILES C1=C(C=CC=2OC(C(C(NCC34CC5CC(C4)CC(C3)C5)=O)=CC12)=O)N(=O)=O