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(4R,7S)-4-methyl-7-propan-2-yl-2-oxepanone
SpectraBase Compound ID E0gXCNSeRFa
InChI InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKey GGAXPLCKKANQED-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 2LbV3gF9IcF
Name (4R,7S)-4-methyl-7-propan-2-yl-2-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)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKey GGAXPLCKKANQED-BDAKNGLRSA-N
Molecular Weight 170.252 g/mol
SMILES C1(O[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-052f-9100000000-0451a6d1781caf82e145
Source of Spectrum PR-1244-0-0
Synonyms (4R,7S)-4-methyl-7-propan-2-yl-oxepan-2-one (4R,7S)-7-isopropyl-4-methyl-oxepan-2-one
Wiley ID 1167220