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trans-2-[(E)-2-Butenyl]-4-vinyl-3,4-dihydro-2H-benzo[b]thiine-2-carbonitrile
SpectraBase Compound ID 4IGQlALqwD8
InChI InChI=1S/C16H17NS/c1-3-5-10-16(12-17)11-13(4-2)14-8-6-7-9-15(14)18-16/h3-9,13H,2,10-11H2,1H3/b5-3+/t13-,16+/m1/s1
InChIKey AXSBZQQVROXKDY-TWPIFRAZSA-N
Mol Weight 255.38 g/mol
Molecular Formula C16H17NS
Exact Mass 255.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQK7YIX4wJq
Name trans-2-[(E)-2-Butenyl]-4-vinyl-3,4-dihydro-2H-benzo[b]thiine-2-carbonitrile
Alternate Name(s) (2S,4S)-2-[(2E)-2-butenyl]-4-vinyl-3,4-dihydro-2H-1-benzothiopyran-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NS
InChI InChI=1S/C16H17NS/c1-3-5-10-16(12-17)11-13(4-2)14-8-6-7-9-15(14)18-16/h3-9,13H,2,10-11H2,1H3/b5-3+/t13-,16+/m1/s1
InChIKey AXSBZQQVROXKDY-TWPIFRAZSA-N
Molecular Weight 255.379 g/mol
SMILES [C@]1(Sc2c([C@@](C1)(C=C)[H])cccc2)(C#N)C\C=C\C
SPLASH splash10-0udj-0970000000-467821c1eea875244b53
Source of Spectrum QA-48-340-28
Wiley ID 863471