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5-(3-Methoxypropyl)-4,5-dihydrobenzo[f][1,2,3]triazolo[5,1-d][1,2,5]thiadiazepine-1,1-dioxide
SpectraBase Compound ID 9CkzupGk5IT
InChI InChI=1S/C13H16N4O3S/c1-20-8-4-7-16-10-11-9-14-15-17(11)12-5-2-3-6-13(12)21(16,18)19/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKey XEWBDWOQYREERA-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C13H16N4O3S
Exact Mass 308.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5tg11MixCX
Name 5-(3-Methoxypropyl)-4,5-dihydrobenzo[f][1,2,3]triazolo[5,1-d][1,2,5]thiadiazepine-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N4O3S
InChI InChI=1S/C13H16N4O3S/c1-20-8-4-7-16-10-11-9-14-15-17(11)12-5-2-3-6-13(12)21(16,18)19/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKey XEWBDWOQYREERA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000465
Molecular Weight 308.356 g/mol
SMILES c12S(N(Cc3[n](-c2cccc1)nnc3)CCCOC)(=O)=O
SPLASH splash10-014i-4900000000-e1aaff4ea11c304e1f6e
Source of Spectrum ASC-353-41/SM15-9d
Synonyms 5-(3-Methoxypropyl)-4,5-dihydrobenzo[f][1,2,3]triazolo[5,1-d][1,2,5]thiadiazepine 6,6-dioxide
Wiley ID 1764580