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2-Acetyl-5-(1'-adamantyl)-2,3-dihydrothiophene
SpectraBase Compound ID BTKQixCs10O
InChI InChI=1S/C16H22OS/c1-10(17)14-2-3-15(18-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h3,11-14H,2,4-9H2,1H3/t11-,12+,13-,14?,16-
InChIKey WBNSFAFCJSOUHE-JCSQNLFZSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HDUAHSoVSr
Name 2-Acetyl-5-(1'-adamantyl)-2,3-dihydrothiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-10(17)14-2-3-15(18-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h3,11-14H,2,4-9H2,1H3/t11-,12+,13-,14?,16-
InChIKey WBNSFAFCJSOUHE-JCSQNLFZSA-N
Molecular Weight 262.411 g/mol
SMILES C1(CC=C(S1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(=O)C
SPLASH splash10-000i-4920000000-9c62dd90028dc056e755
Source of Spectrum F9-1988-641-0
Synonyms 1-[5-(1-adamantyl)-2,3-dihydro-2-thienyl]ethanone
Wiley ID 1565897