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17-Noranthiaergostan-1,5,7,9-tetraen, 17-acetyl-
SpectraBase Compound ID Kx59GQx3L5v
InChI InChI=1S/C21H26O/c1-13-16-7-5-4-6-15(16)12-18-17(13)10-11-21(3)19(14(2)22)8-9-20(18)21/h5,7,12,19-20H,4,6,8-11H2,1-3H3
InChIKey FYOSUGRGNMSRPZ-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8jYKWAVlxed
Name 17-Noranthiaergostan-1,5,7,9-tetraen, 17-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.198365456 u
Formula C21H26O
InChI InChI=1S/C21H26O/c1-13-16-7-5-4-6-15(16)12-18-17(13)10-11-21(3)19(14(2)22)8-9-20(18)21/h5,7,12,19-20H,4,6,8-11H2,1-3H3
InChIKey FYOSUGRGNMSRPZ-UHFFFAOYSA-N
SMILES CC1=C2C(=CC3=C1CCC1(C3CCC1C(=O)C)C)CCC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946138