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2-Cyano-8-methoxy-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
SpectraBase Compound ID 8Sv6sPlTySV
InChI InChI=1S/C24H25NO/c1-4-16-11-18-10-15(14-25)6-8-21(18)23-17(5-2)12-19-13-20(26-3)7-9-22(19)24(16)23/h6-10,13,16-17H,4-5,11-12H2,1-3H3
InChIKey MXXWXQJAVZWWCM-UHFFFAOYSA-N
Mol Weight 343.47 g/mol
Molecular Formula C24H25NO
Exact Mass 343.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2fAtnDXjBmk
Name 2-Cyano-8-methoxy-5,11-trans-diethyl-5,6,11,12-tetrahydrocyrysene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.193614428 u
Formula C24H25NO
InChI InChI=1S/C24H25NO/c1-4-16-11-18-10-15(14-25)6-8-21(18)23-17(5-2)12-19-13-20(26-3)7-9-22(19)24(16)23/h6-10,13,16-17H,4-5,11-12H2,1-3H3
InChIKey MXXWXQJAVZWWCM-UHFFFAOYSA-N
Molecular Weight 343.470 g/mol
SMILES C12=C(C=3C=CC(=CC3CC2CC)OC)C(CC)CC=2C1=CC=C(C#N)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917468