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3-Methylapopinene
SpectraBase Compound ID 9gQ1NVKXgtV
InChI InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey ZJUDTXCEVUJEOX-UHFFFAOYSA-N
Mol Weight 136.24 g/mol
Molecular Formula C10H16
Exact Mass 136.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1q56SdhS4gF
Name 3-Methylapopinene
CAS Registry Number 4889-83-2
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 136.125200515 u
Formula C10H16
InChI InChI=1S/C10H16/c1-7-4-8-6-9(5-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey ZJUDTXCEVUJEOX-UHFFFAOYSA-N
Molecular Weight 136.238 g/mol
Number of Peaks 50
RI1 927
RI2 605
RI3 490
RI4 445
RI5 942
SMILES CC1=CC2C(C(C1)C2)(C)C
SPLASH splash10-0006-9100000000-f9e960b29a360dbd49c6
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]hept-2-ene, 3,6,6-trimethyl
Wiley ID LM_FFNSC3_3281