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3-(Benzo[b]thienylmethyl)-2-cyclohexen-1-one
SpectraBase Compound ID JlE4bh88AHZ
InChI InChI=1S/C15H14OS/c16-13-5-3-4-11(9-13)8-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,9-10H,3-5,8H2
InChIKey RGMQRQCMQVDNAL-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C15H14OS
Exact Mass 242.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cvRLxM3G33
Name 3-(Benzo[b]thienylmethyl)-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14OS
InChI InChI=1S/C15H14OS/c16-13-5-3-4-11(9-13)8-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,9-10H,3-5,8H2
InChIKey RGMQRQCMQVDNAL-UHFFFAOYSA-N
Molecular Weight 242.336 g/mol
SMILES c1(csc2c1cccc2)CC1=CC(=O)CCC1
SPLASH splash10-0006-0190000000-3e3f37a91045d99b0605
Source of Spectrum J-58-2712-61
Synonyms 3-(1-benzothien-3-ylmethyl)-2-cyclohexen-1-one 3-(1-benzothiophen-3-ylmethyl)-1-cyclohex-2-enone 3-(1-benzothiophen-3-ylmethyl)cyclohex-2-en-1-one
Wiley ID 1245246