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2-Thiophenecarboxaldehyde, 4-[(hexahydro-1H-azepin-1-yl)methyl]-5-methyl-
SpectraBase Compound ID 8cKwlHgopt1
InChI InChI=1S/C13H19NOS/c1-11-12(8-13(10-15)16-11)9-14-6-4-2-3-5-7-14/h8,10H,2-7,9H2,1H3
InChIKey UUPWYPAENGDKNI-UHFFFAOYSA-N
Mol Weight 237.36 g/mol
Molecular Formula C13H19NOS
Exact Mass 237.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzXb3ks0gQi
Name 2-Thiophenecarboxaldehyde, 4-[(hexahydro-1H-azepin-1-yl)methyl]-5-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NOS
InChI InChI=1S/C13H19NOS/c1-11-12(8-13(10-15)16-11)9-14-6-4-2-3-5-7-14/h8,10H,2-7,9H2,1H3
InChIKey UUPWYPAENGDKNI-UHFFFAOYSA-N
Molecular Weight 237.361 g/mol
SMILES c1(cc(c(s1)C)CN1CCCCCC1)C=O
SPLASH splash10-000m-9410000000-7bd5bde68301bdbdda33
Source of Spectrum IY-2-4872-9
Synonyms 4-(azepan-1-ylmethyl)-5-methylthiophene-2-carbaldehyde 4-(1-azepanylmethyl)-5-methyl-2-thiophenecarboxaldehyde
Wiley ID 1656486