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13,16-Seco-D-nor-5.alpha.-androsta-13(18),15-diene

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13,16-Seco-D-nor-5.alpha.-androsta-13(18),15-diene
SpectraBase Compound ID LO5vhCC2lvK
InChI InChI=1S/C18H28/c1-4-15-13(2)8-11-17-16(15)10-9-14-7-5-6-12-18(14,17)3/h4,14-17H,1-2,5-12H2,3H3
InChIKey ZFAUIEALCQSKQJ-UHFFFAOYSA-N
Mol Weight 244.42 g/mol
Molecular Formula C18H28
Exact Mass 244.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6GKpCX58Fs0
Name 13,16-Seco-D-nor-5.alpha.-androsta-13(18),15-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.219100902 u
Formula C18H28
InChI InChI=1S/C18H28/c1-4-15-13(2)8-11-17-16(15)10-9-14-7-5-6-12-18(14,17)3/h4,14-17H,1-2,5-12H2,3H3
InChIKey ZFAUIEALCQSKQJ-UHFFFAOYSA-N
Molecular Weight 244.422 g/mol
SMILES CC12C3C(C(C=C)C(CC3)=C)CCC1CCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910053