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(1aR,3aS,4R,5S,7aR,7bS)-3a,7b-dimethyl-4-(3-oxidanylidenebutyl)-1a,2,3,4,5,6,7,7a-octahydro-1H-cyclopropa[a]naphthalene-5-carbaldehyde

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(1aR,3aS,4R,5S,7aR,7bS)-3a,7b-dimethyl-4-(3-oxidanylidenebutyl)-1a,2,3,4,5,6,7,7a-octahydro-1H-cyclopropa[a]naphthalene-5-carbaldehyde
SpectraBase Compound ID 8RYroz13Q9o
InChI InChI=1S/C18H28O2/c1-12(20)4-6-15-13(11-19)5-7-16-17(15,2)9-8-14-10-18(14,16)3/h11,13-16H,4-10H2,1-3H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKey BFRWQDVTQGSOFO-ZXLDYLNASA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F8CsBuswVBT
Name (1ar,3as,4R,5S,7ar,7bs)-3A,7B-Dimethyl-4-(3-oxidanylidenebutyl)-1A,2,3,4,5,6,7,7A-octahydro-1H-cyclopropa[A]naphthalene-5-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-12(20)4-6-15-13(11-19)5-7-16-17(15,2)9-8-14-10-18(14,16)3/h11,13-16H,4-10H2,1-3H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKey BFRWQDVTQGSOFO-ZXLDYLNASA-N
Molecular Weight 276.420 g/mol
SMILES [C@]12([C@@]3([C@@]([C@](CCC(=O)C)([C@](CC3)(C=O)[H])[H])(C)CC[C@]1([H])C2)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929188