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(R,R)-1,1-Diethoxynon-2-yn-4-yl N-1-(phenylethyl)carbamate

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(R,R)-1,1-Diethoxynon-2-yn-4-yl N-1-(phenylethyl)carbamate
SpectraBase Compound ID KP5VMTURllO
InChI InChI=1S/C22H33NO4/c1-5-8-10-15-20(16-17-21(25-6-2)26-7-3)27-22(24)23-18(4)19-13-11-9-12-14-19/h9,11-14,18,20-21H,5-8,10,15H2,1-4H3,(H,23,24)/t18-,20?/m1/s1
InChIKey RSHDMMDHROOBCC-QSVWIEALSA-N
Mol Weight 375.5 g/mol
Molecular Formula C22H33NO4
Exact Mass 375.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4o7011O34w
Name (R,R)-1,1-Diethoxynon-2-yn-4-yl N-1-(phenylethyl)carbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.240958543 u
Formula C22H33NO4
InChI InChI=1S/C22H33NO4/c1-5-8-10-15-20(16-17-21(25-6-2)26-7-3)27-22(24)23-18(4)19-13-11-9-12-14-19/h9,11-14,18,20-21H,5-8,10,15H2,1-4H3,(H,23,24)/t18-,20?/m1/s1
InChIKey RSHDMMDHROOBCC-QSVWIEALSA-N
Molecular Weight 375.509 g/mol
SMILES C(N[C@@](C1=CC=CC=C1)(C)[H])(OC(C#CC(OCC)OCC)CCCCC)=O