2-(but-3-en-2-yl)benzo[b]furan

SpectraBase Compound ID	KaHiv85gurp
InChI	InChI=1S/C12H12O/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h3-9H,1H2,2H3
InChIKey	BYSMRZRCTMYYEM-UHFFFAOYSA-N Google Search
Mol Weight	172.23 g/mol
Molecular Formula	C12H12O
Exact Mass	172.088815 g/mol

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SpectraBase Spectrum ID	4ifKWPpZ44
Name	2-(but-3-en-2-yl)benzo[b]furan
Carrier Gas	Hydrogen (1.7 ml/min, 1.2 bar)
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	172.088815005 u
Formula	C12H12O
GC Column	Macherey-Nagel Optima-1-MS (30 m x 0.25 mm)
GC Oven Program	Oven temp 300oC
InChI	InChI=1S/C12H12O/c1-3-9(2)12-8-10-6-4-5-7-11(10)13-12/h3-9H,1H2,2H3
InChIKey	BYSMRZRCTMYYEM-UHFFFAOYSA-N
Instrument Name	Agilent 5973 N
Ionization Type	EI
Literature Reference DOI	10.1002/chem.201601283
Molecular Weight	172.227 g/mol
Optical Rotation	[a]D20 = -19.9 (c = 1.0 g/100 ml, CHCl3)
Quality	150
SMILES	CC(C=C)C1=CC2=C(O1)C=CC=C2
SPLASH	splash10-0ab9-0900000000-4c69385fbdfc8ceae25c
Sample Comments	65% ee
Source of Spectrum	QE-22-SM44-44-1 (DOI: 10.1002/chem.201601283)
Thin-Layer Chromatography	0.8 (CyHex/EtOAc, 10:1)
Wiley ID	1903369