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Pinane
SpectraBase Compound ID GaM1veD1QaW
InChI InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey XOKSLPVRUOBDEW-UHFFFAOYSA-N
Mol Weight 138.25 g/mol
Molecular Formula C10H18
Exact Mass 138.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SAxHxVm2tu
Name Pinane
CAS Registry Number 6876-13-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 138.140850580 u
Formula C10H18
InChI InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey XOKSLPVRUOBDEW-UHFFFAOYSA-N
Molecular Weight 138.254 g/mol
Number of Peaks 48
RI1 988
SMILES CC1(C)C2C(CCC1C2)C
SPLASH splash10-05o4-9000000000-7eb4e6b1371f9bc34182
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-
Wiley ID LM_FFNSC3_2477