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4-Isopropylthiocoumarin
SpectraBase Compound ID BHdQxWsABhE
InChI InChI=1S/C12H12O2S/c1-8(2)15-11-7-12(13)14-10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKey QYSSIOWVBBMFML-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YM1rsBvOrp
Name 4-Isopropylthiocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.055800798 u
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-8(2)15-11-7-12(13)14-10-6-4-3-5-9(10)11/h3-8H,1-2H3
InChIKey QYSSIOWVBBMFML-UHFFFAOYSA-N
Instrument Name AEI MS 902 S
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.610
Molecular Weight 220.286 g/mol
Quality 213
SMILES C(C)(C)SC1=CC(OC2=C1C=CC=C2)=O
SPLASH splash10-00b9-1930000000-d31651924aac332e302a
Source of Spectrum ARK-2001-104-2c (DOI: 10.3998/ark.5550190.0002.610)
Wiley ID 1908778