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object
{15}
_id
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B4N42gNgRXs
spectrumID
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B4N42gNgRXs
cost
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specType
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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Bifloratriene
SpectraBase Compound ID Cwuh0aSg66E
InChI InChI=1S/C21H34/c1-15(2)8-7-9-17(4)20-13-11-18(5)19-12-10-16(3)14-21(19,20)6/h8,14,17,19-20H,5,7,9-13H2,1-4,6H3/t17?,19-,20-,21+/m0/s1
InChIKey VZJURRAUAOXUNS-VAJWBBEOSA-N
Mol Weight 286.5 g/mol
Molecular Formula C21H34
Exact Mass 286.266051 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4N42gNgRXs
Name Bifloratriene
CAS Registry Number 69636-81-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C21H34/c1-15(2)8-7-9-17(4)20-13-11-18(5)19-12-10-16(3)14-21(19,20)6/h8,14,17,19-20H,5,7,9-13H2,1-4,6H3/t17?,19-,20-,21+/m0/s1
InChIKey VZJURRAUAOXUNS-VAJWBBEOSA-N
SMILES C=1(CC[C@@]2([C@@](C1)([C@@](CCC2=C)(C(C)CCC=C(C)C)[H])C)[H])C
SPLASH splash10-0abl-5910000000-7f87cc299eda08d80797
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885929
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