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3-Thiophenecarboxylic acid, 3-aminotetrahydro-2-phenyl-
SpectraBase Compound ID AsSFaKaX8iF
InChI InChI=1S/C11H13NO2S/c12-11(10(13)14)6-7-15-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChIKey ULCXMJBDPOCCQQ-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C11H13NO2S
Exact Mass 223.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QhxhzwI9SE
Name 3-Thiophenecarboxylic acid, 3-aminotetrahydro-2-phenyl-
CAS Registry Number 111622-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO2S
InChI InChI=1S/C11H13NO2S/c12-11(10(13)14)6-7-15-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)
InChIKey ULCXMJBDPOCCQQ-UHFFFAOYSA-N
Molecular Weight 223.290 g/mol
SMILES OC(C1(C(SCC1)c1ccccc1)N)=O
SPLASH splash10-0k9i-3930000000-010c689dc9ebcc1b181a
Source of Spectrum H-70-260-55
Synonyms (+)-3-amino-2-phenyl-2,3,4,5-tetrahydro-3-thiophenecarboxylic acid 3-Amino-2-phenyltetrahydro-3-thiophenecarboxylic acid
Wiley ID 1223832