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N-(6,11-Dihydrodibenzo[b,E]thiepin-11-yl)alanine
SpectraBase Compound ID AjjoVVRuJiH
InChI InChI=1S/C17H17NO2S/c1-11(17(19)20)18-16-13-7-3-2-6-12(13)10-21-15-9-5-4-8-14(15)16/h2-9,11,16,18H,10H2,1H3,(H,19,20)
InChIKey UTTNNMKDQVGZAU-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ezFaRkUqmS
Name N-(6,11-Dihydrodibenzo[b,E]thiepin-11-yl)alanine
CAS Registry Number 117125-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-11(17(19)20)18-16-13-7-3-2-6-12(13)10-21-15-9-5-4-8-14(15)16/h2-9,11,16,18H,10H2,1H3,(H,19,20)
InChIKey UTTNNMKDQVGZAU-UHFFFAOYSA-N
Molecular Weight 299.388 g/mol
SMILES N(C1c2c(cccc2)CSc2ccccc12)C(C(=O)O)C
SPLASH splash10-03fr-1690000000-4a0e913725e300946b41
Source of Spectrum NP-10-451-0
Synonyms Propanoic acid, 2-(6,11-dihydrodibenzo[b,e]thiepin-11-ylamino)- 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylamino)propanoic acid
Wiley ID 1108583