Debug Info

object
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_id
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5ZXW2Imcudy
spectrumID
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5ZXW2Imcudy
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specType
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Mass Spectrum (GC)
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compound
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4-(1-Octynyl)biphenyl
SpectraBase Compound ID F4FcI9Mw0fb
InChI InChI=1S/C20H22/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6H2,1H3
InChIKey BBTSFMCJZUWZFA-UHFFFAOYSA-N
Mol Weight 262.4 g/mol
Molecular Formula C20H22
Exact Mass 262.172151 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZXW2Imcudy
Name 4-(1-Octynyl)biphenyl
Appearance Yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22
InChI InChI=1S/C20H22/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6H2,1H3
InChIKey BBTSFMCJZUWZFA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP-1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.123
Molecular Weight 262.396 g/mol
SMILES C(#Cc1ccc(cc1)-c1ccccc1)CCCCCC
SPLASH splash10-0006-0900000000-baf96b9ccde61884a38e
Source of Spectrum ARK-2015-344-12
Wiley ID 1843394
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