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Anthiaergosta-1,5,7,9-tetraene

View entire compound with spectra: 1 NMR, and 1 FTIR

Anthiaergosta-1,5,7,9-tetraene
SpectraBase Compound ID 4tVFDUDghdD
InChI InChI=1S/C28H42/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h8,10,17-20,26-27H,7,9,11-16H2,1-6H3
InChIKey AJVQOFBMHFIEOQ-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C28H42
Exact Mass 378.328651 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 45lVrF0Udld
Name Anthiaergosta-1,5,7,9-tetraene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.328651352 u
Formula C28H42
InChI InChI=1S/C28H42/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h8,10,17-20,26-27H,7,9,11-16H2,1-6H3
InChIKey AJVQOFBMHFIEOQ-UHFFFAOYSA-N
Molecular Weight 378.644 g/mol
SMILES CC1=C2C(=CC3=C1CCC1(C3CCC1C(C)CCC(C)C(C)C)C)CCC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8222