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2-(2,5,5-Trimethyl-1,2,3,4,4A,5,6,7-octahydronaphthalen-2-yl)ethyl acetate
SpectraBase Compound ID NpdJKUWQV2
InChI InChI=1S/C17H28O2/c1-13(18)19-11-10-17(4)9-7-15-14(12-17)6-5-8-16(15,2)3/h6,15H,5,7-12H2,1-4H3
InChIKey DOTDRKKBQCADPM-UHFFFAOYSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4A0ISOxsywF
Name 2-(2,5,5-Trimethyl-1,2,3,4,4A,5,6,7-octahydronaphthalen-2-yl)ethyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-13(18)19-11-10-17(4)9-7-15-14(12-17)6-5-8-16(15,2)3/h6,15H,5,7-12H2,1-4H3
InChIKey DOTDRKKBQCADPM-UHFFFAOYSA-N
Molecular Weight 264.409 g/mol
SMILES C1=2C(C(C)(C)CCC2)CCC(C1)(CCOC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950522