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5-Azulenepropanal, 6-formyldecahydro-3a,6-dimethyl-.beta.-methylene-1-(1-methylethenyl)- , (1.alpha.,3a.beta.,5.alpha.,6.beta.,8a.alpha.)-

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5-Azulenepropanal, 6-formyldecahydro-3a,6-dimethyl-.beta.-methylene-1-(1-methylethenyl)- , (1.alpha.,3a.beta.,5.alpha.,6.beta.,8a.alpha.)-
SpectraBase Compound ID 7m8An8g5MjR
InChI InChI=1S/C20H30O2/c1-14(2)16-6-9-19(4)12-18(15(3)8-11-21)20(5,13-22)10-7-17(16)19/h11,13,16-18H,1,3,6-10,12H2,2,4-5H3/t16-,17-,18+,19+,20-/m0/s1
InChIKey GZWJDHRNEPZVGH-OMZCGLGVSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 685I2eKXT6o
Name 5-Azulenepropanal, 6-formyldecahydro-3A,6-dimethyl-.beta.-methylene-1-(1-methylethenyl)- , (1.alpha.,3A.beta.,5.alpha.,6.beta.,8A.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-14(2)16-6-9-19(4)12-18(15(3)8-11-21)20(5,13-22)10-7-17(16)19/h11,13,16-18H,1,3,6-10,12H2,2,4-5H3/t16-,17-,18+,19+,20-/m0/s1
InChIKey GZWJDHRNEPZVGH-OMZCGLGVSA-N
SMILES [C@@]12([C@]([C@](C(=C)C)(CC2)[H])(CC[C@]([C@](C1)(C(=C)CC=O)[H])(C=O)C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904283