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1-Methyl-estra-1,3,5(10)-trien-17b-yl acetate

View entire compound with spectra: 1 NMR

1-Methyl-estra-1,3,5(10)-trien-17b-yl acetate
SpectraBase Compound ID AkfDZFzq8oW
InChI InChI=1S/C21H28O2/c1-13-5-4-6-15-7-8-16-17(20(13)15)11-12-21(3)18(16)9-10-19(21)23-14(2)22/h4-6,16-19H,7-12H2,1-3H3
InChIKey BEWQKIRBIUCKNB-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IT4DJFHSny6
Name 1-Methyl-estra-1,3,5(10)-trien-17b-yl acetate
CAS Registry Number 6561-92-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-13-5-4-6-15-7-8-16-17(20(13)15)11-12-21(3)18(16)9-10-19(21)23-14(2)22/h4-6,16-19H,7-12H2,1-3H3
InChIKey BEWQKIRBIUCKNB-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3