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1-Naphthaleneacetaldehyde, 2-(acetyloxy)-1,2,3,4,6,7,8,8a-octahydro-6-hydroxy-.alpha.,8,8a-trimethyl-, [1R-[1.alpha.(R*),2.alpha.,6.beta.,8.beta.,8a.beta.]]-
SpectraBase Compound ID 6MPZEVFgXsL
InChI InChI=1S/C17H26O4/c1-10(9-18)16-15(21-12(3)19)6-5-13-8-14(20)7-11(2)17(13,16)4/h8-11,14-16,20H,5-7H2,1-4H3/t10?,11-,14+,15-,16-,17+/m0/s1
InChIKey UVIZSEOMDKNCPM-METNBQJISA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HtSrHSHJvGf
Name 1-Naphthaleneacetaldehyde, 2-(acetyloxy)-1,2,3,4,6,7,8,8A-octahydro-6-hydroxy-.alpha.,8,8A-trimethyl-, [1R-[1.alpha.(R*),2.alpha.,6.beta.,8.beta.,8A.beta.]]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.183109313 u
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-10(9-18)16-15(21-12(3)19)6-5-13-8-14(20)7-11(2)17(13,16)4/h8-11,14-16,20H,5-7H2,1-4H3/t10?,11-,14+,15-,16-,17+/m0/s1
InChIKey UVIZSEOMDKNCPM-METNBQJISA-N
SMILES [C@]12(C(=C[C@@](C[C@@]2(C)[H])(O)[H])CC[C@@]([C@@]1(C(C=O)C)[H])(OC(=O)C)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933415