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(4S,7R)-7-Methyl-4-isopropyl-2-oxo-oxepanone
SpectraBase Compound ID LvmjUIB6uns
InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKey GAOOEWLYQUUEST-BDAKNGLRSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDKoUgRildg
Name (4S,7R)-7-Methyl-4-isopropyl-2-oxo-oxepanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKey GAOOEWLYQUUEST-BDAKNGLRSA-N
Molecular Weight 170.252 g/mol
SMILES C1(C[C@](CC[C@](O1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-0560-9200000000-d337d5a2267fdd665570
Source of Spectrum F5-5-1718-2c
Synonyms (4S,7R)-7-Methyl-4-isopropyl-oxepanone (4S,7R)-4-isopropyl-7-methyloxepan-2-one
Wiley ID 1733170