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3-Heptanone, 4-methyl-6-oxiranyl-, [2R*(4R*,6S*)]-(.+-.)-
SpectraBase Compound ID HpRlS8T584Z
InChI InChI=1S/C10H18O2/c1-4-9(11)7(2)5-8(3)10-6-12-10/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey LQHJAQYQAYERCP-WEDXCCLWSA-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 AqMpNlFOTY0
Name 3-Heptanone, 4-methyl-6-oxiranyl-, [2R*(4R*,6S*)]-(.+-.)-
CAS Registry Number 58977-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-4-9(11)7(2)5-8(3)10-6-12-10/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
InChIKey LQHJAQYQAYERCP-WEDXCCLWSA-N
Molecular Weight 170.252 g/mol
SMILES [C@]1(OC1)([C@](C[C@](C(=O)CC)(C)[H])(C)[H])[H]
SPLASH splash10-0a4i-9000000000-77876e42a9a78c6dc7cf
Source of Spectrum J-41-2801-0
Synonyms (4R,6S)-4-methyl-6-[(2R)-oxiranyl]-3-heptanone 4,6-Dimethyl-7,8-epoxy-3-one (.alpha.-diastereomer)
Wiley ID 1167055