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Methyl (S)-5-((1S,2R,4ar,8ar)-5-(methoxymethyl)-1,2,4A-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl)-3-methylpentanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl (S)-5-((1S,2R,4ar,8ar)-5-(methoxymethyl)-1,2,4A-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl)-3-methylpentanoate
SpectraBase Compound ID CFUKr34YyiG
InChI InChI=1S/C22H38O3/c1-16(14-20(23)25-6)10-12-21(3)17(2)11-13-22(4)18(15-24-5)8-7-9-19(21)22/h8,16-17,19H,7,9-15H2,1-6H3/t16-,17+,19+,21-,22-/m0/s1
InChIKey NAQMIIZCKVFZIN-XGTXPGHHSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4LcoUwbrwXE
Name Methyl (S)-5-((1S,2R,4ar,8ar)-5-(methoxymethyl)-1,2,4A-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl)-3-methylpentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.282095081 u
Formula C22H38O3
InChI InChI=1S/C22H38O3/c1-16(14-20(23)25-6)10-12-21(3)17(2)11-13-22(4)18(15-24-5)8-7-9-19(21)22/h8,16-17,19H,7,9-15H2,1-6H3/t16-,17+,19+,21-,22-/m0/s1
InChIKey NAQMIIZCKVFZIN-XGTXPGHHSA-N
Molecular Weight 350.543 g/mol
SMILES C1C=C([C@@]2(CC[C@]([C@@]([C@]2(C1)[H])(CC[C@@](CC(OC)=O)(C)[H])C)(C)[H])C)COC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987128