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16a-Thiocyanato-3-methoxy-1,3,5(10)-estratriene

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16a-Thiocyanato-3-methoxy-1,3,5(10)-estratriene
SpectraBase Compound ID 1dGtUIgVhgL
InChI InChI=1S/C20H25NOS/c1-20-8-7-17-16-6-4-14(22-2)9-13(16)3-5-18(17)19(20)10-15(11-20)23-12-21/h4,6,9,15,17-19H,3,5,7-8,10-11H2,1-2H3
InChIKey XNPRMBHNZOFNRI-UHFFFAOYSA-N
Mol Weight 327.49 g/mol
Molecular Formula C20H25NOS
Exact Mass 327.165686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cn199VRRYq8
Name 16b-Thiocyanato-3-methoxy-1,3,5(10)-estratriene
CAS Registry Number 74055-52-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H25NOS
InChI InChI=1S/C20H25NOS/c1-20-8-7-17-16-6-4-14(22-2)9-13(16)3-5-18(17)19(20)10-15(11-20)23-12-21/h4,6,9,15,17-19H,3,5,7-8,10-11H2,1-2H3
InChIKey XNPRMBHNZOFNRI-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference G. Engelhardt, D. Zeigan, B. Schoenecker, Org. Magn. Resonance 12, 628 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3