1,2,3,4,4A,7,8,8A - Octahydro - 1,4A,6 - trimethyl - naphthalene (without stereochemistry) - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	Jp0NkSYar6u
InChI	InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h9,11-12H,4-8H2,1-3H3
InChIKey	AWRODFUWOUCXQQ-UHFFFAOYSA-N Google Search
Mol Weight	178.32 g/mol
Molecular Formula	C13H22
Exact Mass	178.172151 g/mol

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SpectraBase Spectrum ID	C8CAjfPWbG1
Name	1,2,3,4,4A,7,8,8A - Octahydro - 1,4A,6 - trimethyl - naphthalene (without stereochemistry)
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	178.172150708 u
Formula	C13H22
InChI	InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h9,11-12H,4-8H2,1-3H3
InChIKey	AWRODFUWOUCXQQ-UHFFFAOYSA-N
Molecular Weight	178.319 g/mol
SMILES	C12(C=C(C)CCC2C(C)CCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.864961