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Azulene, 1,3a,4,5,6,7-hexahydro-4,4,6,6,8-pentamethyl-5-methylene-, (.+-.)-
SpectraBase Compound ID JXTRaGdnygP
InChI InChI=1S/C16H24/c1-11-10-15(3,4)12(2)16(5,6)14-9-7-8-13(11)14/h7,9,14H,2,8,10H2,1,3-6H3
InChIKey TVJJHRLYIUIGJM-UHFFFAOYSA-N
Mol Weight 216.37 g/mol
Molecular Formula C16H24
Exact Mass 216.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTTwYSUNZt7
Name Azulene, 1,3a,4,5,6,7-hexahydro-4,4,6,6,8-pentamethyl-5-methylene-, (.+-.)-
CAS Registry Number 122166-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24
InChI InChI=1S/C16H24/c1-11-10-15(3,4)12(2)16(5,6)14-9-7-8-13(11)14/h7,9,14H,2,8,10H2,1,3-6H3
InChIKey TVJJHRLYIUIGJM-UHFFFAOYSA-N
Molecular Weight 216.368 g/mol
SMILES C1(C(C(CC(=C2C1C=CC2)C)(C)C)=C)(C)C
SPLASH splash10-000b-2910000000-a13b00bd04b63dc468a2
Source of Spectrum F-44-3912-21
Synonyms 2,2,4,4,6-Pentamethyl-3-methylenebicyclo[5.3.0]decan-6,9-diene 4,4,6,6,8-pentamethyl-5-methylene-1,3a,4,5,6,7-hexahydroazulene
Wiley ID 1216189