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3-Isopropyl-6-methylhexahydroazepin-2-one
SpectraBase Compound ID 2GNNaBD2rYj
InChI InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-11-10(9)12/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1
InChIKey XTGVNDCCKLFHJY-BDAKNGLRSA-N
Mol Weight 169.27 g/mol
Molecular Formula C10H19NO
Exact Mass 169.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRuuGcbs8nM
Name 3-Isopropyl-6-methylhexahydroazepin-2-one
Alternate Name(s) (3S,6R)-3-Isopropyl-6-methylhexahydroazepin-2-one 3-isopropyl-6-methyl-azepan-2-one 3-isopropyl-6-methylhexahydro-2H-azepin-2-one 6-Methyl-3-propan-2-yl-2-azepanone 6-Methyl-3-propan-2-yl-azepan-2-one (3S,6R)-6-methyl-3-propan-2-yl-2-azepanone (3S,6R)-6-methyl-3-propan-2-ylazepan-2-one (3S,6R)-6-methyl-3-propan-2-yl-azepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19NO
InChI InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-11-10(9)12/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1
InChIKey XTGVNDCCKLFHJY-BDAKNGLRSA-N
Molecular Weight 169.268 g/mol
SMILES N1C[C@@](CC[C@](C1=O)(C(C)C)[H])(C)[H]
SPLASH splash10-0059-4900000000-23ab6ba7764b4c4cdece
Source of Spectrum SK-22-279-3
Wiley ID 852014