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[(1R-(1.alpha.,3a.alpha.,3b.beta.,6.beta.,6a.beta.,6b.alpha.)]-Decahydro-.alpha.,.alpha.,3a,6-tetramethyl-1-cyclobuta[1,2:3,4]dicyclopentanemethanol
SpectraBase Compound ID Ap14F5agsyB
InChI InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(2,3)16)7-8-15(10,13)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13-,15+/m1/s1
InChIKey ODNYWCNTMPCHTB-LREAXHOUSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FCv62iP9bz1
Name [(1R-(1.alpha.,3A.alpha.,3B.beta.,6.beta.,6A.beta.,6B.alpha.)]-decahydro-.alpha.,.alpha.,3A,6-tetramethyl-1-cyclobuta[1,2:3,4]dicyclopentanemethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(2,3)16)7-8-15(10,13)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13-,15+/m1/s1
InChIKey ODNYWCNTMPCHTB-LREAXHOUSA-N
Molecular Weight 222.372 g/mol
SMILES [C@]12([C@@]([C@](C(O)(C)C)(CC2)[H])([H])[C@@]2([C@]1(CC[C@]2(C)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944667