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2-Allyl-4-methoxy-thiophene-3-carboxylic acid
SpectraBase Compound ID 5LgkQ2KjOXR
InChI InChI=1S/C9H10O3S/c1-3-4-7-8(9(10)11)6(12-2)5-13-7/h3,5H,1,4H2,2H3,(H,10,11)
InChIKey KZKIJYDUEKAIIK-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hAyyBeceVE
Name 2-Allyl-4-methoxy-thiophene-3-carboxylic acid
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c1-3-4-7-8(9(10)11)6(12-2)5-13-7/h3,5H,1,4H2,2H3,(H,10,11)
InChIKey KZKIJYDUEKAIIK-UHFFFAOYSA-N
Instrument Name Waters GCT Premier CAB163
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201712520
Molecular Weight 198.236 g/mol
Quality 301
Reported Formula C9H10O3S
SMILES OC(C1=C(CC=C)SC=C1OC)=O
SPLASH splash10-00lr-0900000000-b574507d03d262ecb0f0
Source of Spectrum ACI-57-SM13-3sa (DOI: 10.1002/anie.201712520)
Wiley ID 1893535