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1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-3-sulfanyl-propan-1-one
SpectraBase Compound ID 1sQ85cnZPT5
InChI InChI=1S/C15H29NO6S/c17-15(1-14-23)16-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16/h23H,1-14H2
InChIKey DWFILTCOQFXWMA-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C15H29NO6S
Exact Mass 351.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgEzagSokjk
Name 1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-3-sulfanyl-propan-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H29NO6S
InChI InChI=1S/C15H29NO6S/c17-15(1-14-23)16-2-4-18-6-8-20-10-12-22-13-11-21-9-7-19-5-3-16/h23H,1-14H2
InChIKey DWFILTCOQFXWMA-UHFFFAOYSA-N
Molecular Weight 351.458 g/mol
SMILES SCCC(N1CCOCCOCCOCCOCCOCC1)=O
SPLASH splash10-0udi-0009000000-84c87adc78f99bb5b035
Source of Spectrum OP-31-427-1
Synonyms 3-mercapto-1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)-1-propanone 3-mercapto-1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propan-1-one
Wiley ID 850929