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(2S,4R)-4-Isopropyl(D)cyclohexanone
SpectraBase Compound ID 1h9Wa8elDyE
InChI InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3/i5D/t5-,8+/m1/s1
InChIKey FPKISACHVIIMRA-JLDCUDFJSA-N
Mol Weight 141.23 g/mol
Molecular Formula C9H15DO
Exact Mass 141.126392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 812swGFN8fD
Name (2S,4R)-4-Isopropyl(D)cyclohexanone
CAS Registry Number 68737-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15DO
InChI InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3/i5D/t5-,8+/m1/s1
InChIKey FPKISACHVIIMRA-JLDCUDFJSA-N
Molecular Weight 141.232 g/mol
SMILES C1(=O)CC[C@](C[C@]1([D])[H])(C(C)C)[H]
SPLASH splash10-0a4i-9100000000-9cbe90becbccbf999351
Source of Spectrum J-45-5243-0
Synonyms (2R,4R)-4-Isopropyl(2-D1)cyclohexanone
Wiley ID 82591