Debug Info

object
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_id
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I2jTR4PivRU
spectrumID
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I2jTR4PivRU
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specType
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131072
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dbLocation
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WMS3X:19794:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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3-Thiophenecarboxylic acid
SpectraBase Compound ID 4152714BXIX
InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKey YNVOMSDITJMNET-UHFFFAOYSA-N
Mol Weight 128.14 g/mol
Molecular Formula C5H4O2S
Exact Mass 127.993201 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2jTR4PivRU
Name 3-Thiophenecarboxylic acid
CAS Registry Number 88-13-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4O2S
InChI InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKey YNVOMSDITJMNET-UHFFFAOYSA-N
Molecular Weight 128.145 g/mol
SMILES OC(=O)c1ccsc1
SPLASH splash10-03fr-4900000000-22ed980ce2094637b969
Source of Spectrum JZ-1992-4219-0
Synonyms .beta.-Thiophenecarboxylic acid .beta.-Thiophenic acid 3-Carboxythiophene 3-Thenoic acid 3-Thienylcarboxylic acid Thiophene-3-carboxylic acid BRN 0001994 EINECS 201-802-5 NSC 66314
Wiley ID 157704
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