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1-(2'-Iodobenzoyl)-2,5,6,7-tetrahydro-4,6,6-trimethylazepine
SpectraBase Compound ID 9Tyf9qR3ANq
InChI InChI=1S/C16H20INO/c1-12-8-9-18(11-16(2,3)10-12)15(19)13-6-4-5-7-14(13)17/h4-8H,9-11H2,1-3H3
InChIKey ZCGSFZUQZAHUAZ-UHFFFAOYSA-N
Mol Weight 369.25 g/mol
Molecular Formula C16H20INO
Exact Mass 369.058959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSWMAvsFrOj
Name 1-(2'-Iodobenzoyl)-2,5,6,7-tetrahydro-4,6,6-trimethylazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20INO
InChI InChI=1S/C16H20INO/c1-12-8-9-18(11-16(2,3)10-12)15(19)13-6-4-5-7-14(13)17/h4-8H,9-11H2,1-3H3
InChIKey ZCGSFZUQZAHUAZ-UHFFFAOYSA-N
Molecular Weight 369.246 g/mol
SMILES C(N1CC(CC(=CC1)C)(C)C)(c1c(I)cccc1)=O
SPLASH splash10-00lu-3194000000-6dbe7a8ec9c8437e7b5c
Source of Spectrum F-47-9713-26
Synonyms 1-(2-iodobenzoyl)-3,3,5-trimethyl-2,3,4,7-tetrahydro-1H-azepine
Wiley ID 1353535