Debug Info

object
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_id
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AgDRPiV7TZw
spectrumID
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AgDRPiV7TZw
cost
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131072
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Mass Spectrum (GC)
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1-Phenylethanol, N-butyl ether
SpectraBase Compound ID HZtYyH2offv
InChI InChI=1S/C12H18O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey AQGPVCBVZAHVBN-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgDRPiV7TZw
Name (1-Butoxyethyl)benzene
CAS Registry Number 4157-77-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKey AQGPVCBVZAHVBN-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES c1(C(OCCCC)C)ccccc1
SPLASH splash10-0a4i-3900000000-14cca8ad96dcdd548f79
Source of Spectrum F-67-8620-34
Wiley ID 1691017
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