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Chamazulene
SpectraBase Compound ID 4dk3QhlEkhC
InChI InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKey GXGJIOMUZAGVEH-UHFFFAOYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C14H16
Exact Mass 184.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Exy0TXiTAs
Name Chamazulene
Source of Sample SAFC Cat.no. W227307
CAS Registry Number 529-05-5
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 184.125200515 u
Formula C14H16
InChI InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKey GXGJIOMUZAGVEH-UHFFFAOYSA-N
Molecular Weight 184.282 g/mol
Number of Peaks 50
RI1 1728
RI2 1403
SMILES c1(ccc(c2c(c1)c(cc2)C)C)CC
SPLASH splash10-0gc0-1900000000-546fadce9bc3db7accc0
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 Azulene, 7-ethyl-1,4-dimethyl-
Wiley ID LM_FFNSC3_1121