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(3E)-4-(1-Benzothien-2-yl)but-3-en-2-one
SpectraBase Compound ID 8r3Xp9DhEiC
InChI InChI=1S/C12H10OS/c1-9(13)6-7-11-8-10-4-2-3-5-12(10)14-11/h2-8H,1H3/b7-6+
InChIKey SBQRCNFBDIKDQS-VOTSOKGWSA-N
Mol Weight 202.27 g/mol
Molecular Formula C12H10OS
Exact Mass 202.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A2r5fSQYB1
Name (3E)-4-(1-Benzothien-2-yl)but-3-en-2-one
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10OS
InChI InChI=1S/C12H10OS/c1-9(13)6-7-11-8-10-4-2-3-5-12(10)14-11/h2-8H,1H3/b7-6+
InChIKey SBQRCNFBDIKDQS-VOTSOKGWSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901551
Molecular Weight 202.271 g/mol
Quality 221
SMILES C12=C(C=CC=C2)SC(=C1)\C=C\C(C)=O
SPLASH splash10-0f79-0930000000-397790e8214bfbb5bb93
Source of Spectrum K1-2019-7716-1s (DOI: 10.1002/ejoc.201901551)
Wiley ID 1892361