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2,3,4,5-tetrahydro-1,6-benzothiazocine-6-carbaldehyde

View entire compound with spectra: 1 MS (GC)

2,3,4,5-tetrahydro-1,6-benzothiazocine-6-carbaldehyde
SpectraBase Compound ID 68FLiBIbZM0
InChI InChI=1S/C11H13NOS/c13-9-12-7-3-4-8-14-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKey SQWAEUVKFYUFTP-UHFFFAOYSA-N
Mol Weight 207.29 g/mol
Molecular Formula C11H13NOS
Exact Mass 207.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5vFW6yhAP6
Name 2,3,4,5-tetrahydro-1,6-benzothiazocine-6-carbaldehyde
Alternate Name(s) 2,3,4,5-tetrahydro-1,6-benzothiazocine-6-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NOS
InChI InChI=1S/C11H13NOS/c13-9-12-7-3-4-8-14-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKey SQWAEUVKFYUFTP-UHFFFAOYSA-N
Molecular Weight 207.291 g/mol
SMILES c12N(CCCCSc2cccc1)C=O
SPLASH splash10-000i-0940000000-3c6ca36f02a5106688a0
Source of Spectrum J-60-2604-11
Wiley ID 1205656