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7-epi-Sesquithujene
SpectraBase Compound ID 27zgcbekFMx
InChI InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13?,14-,15-/m1/s1
InChIKey UCQHFDKBUHCAFR-JVIGXAJISA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiA0iuRCRdd
Name 7-epi-Sesquithujene
Classification Sesquiterpenoids
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 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,8,13-14H,5,7,9-10H2,1-4H3/t13?,14-,15-/m1/s1
InChIKey UCQHFDKBUHCAFR-JVIGXAJISA-N
Molecular Weight 204.357 g/mol
Number of Peaks 12
SMILES C=1C[C@@]2(C[C@@]2(C1C)[H])C(CCC=C(C)C)C
SPLASH splash10-05mo-9300000000-2270fd67b05931051602
Source of Spectrum FF-9-180-31 (DOI: 10.1002/ffj.2730090407)
Synonyms (1R,5R)-2-methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene
Wiley ID 1801284