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Talaro-7,13-diene
SpectraBase Compound ID Ffa2OORkgBH
InChI InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,10,13,15,17-19H,6,8-9,11-12H2,1-5H3/b14-7-/t15-,17-,18-,19-,20+/m0/s1
InChIKey XKJFIMZNQWKLIO-ZSMTZVJQSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84vPgyABlR2
Name Talaro-7,13-diene
Appearance Colorless oil
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
GC Column HP-5MS (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,10,13,15,17-19H,6,8-9,11-12H2,1-5H3/b14-7-/t15-,17-,18-,19-,20+/m0/s1
InChIKey XKJFIMZNQWKLIO-ZSMTZVJQSA-N
Instrument Name Agilent Technologies 7890B GC-5977B
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.144
Molecular Weight 272.476 g/mol
Optical Rotation [a]D32 = -10.6 (c = 1.0, CHCl3)
Quality 860
Reported Formula C20H32
SMILES [C@]12(\C(=C/C[C@@]3([C@@](C[C@]2([C@](CC1)(C)[H])[H])(CC=C3C(C)C)C)[H])C)[H]
SPLASH splash10-05fr-2910000000-58e3b02351cc4c96517b
Source of Spectrum BJO-18-SM19-1 (DOI: 10.3762/bjoc.18.144)
Wiley ID 1901232