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3,4,5,6-tetrahydro-2H-1,7-benzothiazonine-7-carbaldehyde

View entire compound with spectra: 1 MS (GC)

3,4,5,6-tetrahydro-2H-1,7-benzothiazonine-7-carbaldehyde
SpectraBase Compound ID K6tzuDWEnRq
InChI InChI=1S/C12H15NOS/c14-10-13-8-4-1-5-9-15-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKey QSNKOGWFLCKXLK-UHFFFAOYSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Cqgwnm7pgA
Name 3,4,5,6-tetrahydro-2H-1,7-benzothiazonine-7-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c14-10-13-8-4-1-5-9-15-12-7-3-2-6-11(12)13/h2-3,6-7,10H,1,4-5,8-9H2
InChIKey QSNKOGWFLCKXLK-UHFFFAOYSA-N
Molecular Weight 221.318 g/mol
SMILES c12N(CCCCCSc2cccc1)C=O
SPLASH splash10-00dr-0950000000-0d5264f69ff9e9169b31
Source of Spectrum J-60-2605-11
Synonyms 3,4,5,6-tetrahydro-2H-1,7-benzothiazonine-7-carboxaldehyde
Wiley ID 1221223