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Benzyl 4.beta.-(hex-1-en-3-one-1-yl)-5.alpha.-methyl-cyclohexene-3.beta.-carbamate

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Benzyl 4.beta.-(hex-1-en-3-one-1-yl)-5.alpha.-methyl-cyclohexene-3.beta.-carbamate
SpectraBase Compound ID 1Lc3QruwsaM
InChI InChI=1S/C21H27NO3/c1-3-8-18(23)13-14-19-16(2)9-7-12-20(19)22-21(24)25-15-17-10-5-4-6-11-17/h4-7,10-14,16,19-20H,3,8-9,15H2,1-2H3,(H,22,24)/b14-13+
InChIKey AYZCJWOPGDCUIH-BUHFOSPRSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjwKQZHQc7X
Name Benzyl 4.beta.-(hex-1-en-3-one-1-yl)-5.alpha.-methyl-cyclohexene-3.beta.-carbamate
CAS Registry Number 91739-36-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-3-8-18(23)13-14-19-16(2)9-7-12-20(19)22-21(24)25-15-17-10-5-4-6-11-17/h4-7,10-14,16,19-20H,3,8-9,15H2,1-2H3,(H,22,24)/b14-13+
InChIKey AYZCJWOPGDCUIH-BUHFOSPRSA-N
Instrument Name Bruker WH-90
Literature Reference L.E. Overman, P.J. Jessup, J. Am. Chem. Soc. 100, 5179 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3