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16.alpha.-Fluoro-3,3-(ethylenedioxy)androstan-17-one
SpectraBase Compound ID 5TZmkPcOrJv
InChI InChI=1S/C21H31FO3/c1-19-7-8-21(24-9-10-25-21)12-13(19)3-4-14-15(19)5-6-20(2)16(14)11-17(22)18(20)23/h13-17H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey LYFMFAUNALFCLI-OAXLKRRGSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5mMioNNh2z4
Name 16.alpha.-Fluoro-3,3-(ethylenedioxy)androstan-17-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.225723018 u
Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-19-7-8-21(24-9-10-25-21)12-13(19)3-4-14-15(19)5-6-20(2)16(14)11-17(22)18(20)23/h13-17H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey LYFMFAUNALFCLI-OAXLKRRGSA-N
Molecular Weight 350.474 g/mol
SMILES C12(CC[C@]3(C(C2)CC[C@]2([C@@]4(C[C@](C([C@@]4(C)CC[C@]32[H])=O)(F)[H])[H])[H])C)OCCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856048