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(3S,11S)-3,11-dimethyl-2-nonacosanone
SpectraBase Compound ID CMoHQ0s9hVn
InChI InChI=1S/C31H62O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(2)27-24-21-19-22-25-28-30(3)31(4)32/h29-30H,5-28H2,1-4H3/t29-,30-/m0/s1
InChIKey GQJLFAGGBJJGDA-KYJUHHDHSA-N
Mol Weight 450.8 g/mol
Molecular Formula C31H62O
Exact Mass 450.480067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcscjHjIXC6
Name (3S,11S)-3,11-dimethyl-2-nonacosanone
CAS Registry Number 69274-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62O
InChI InChI=1S/C31H62O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29(2)27-24-21-19-22-25-28-30(3)31(4)32/h29-30H,5-28H2,1-4H3/t29-,30-/m0/s1
InChIKey GQJLFAGGBJJGDA-KYJUHHDHSA-N
Molecular Weight 450.836 g/mol
SMILES C(=O)([C@](CCCCCCC[C@](CCCCCCCCCCCCCCCCCC)(C)[H])(C)[H])C
SPLASH splash10-05fu-9000000000-c1d85d0401419c6dca2c
Source of Spectrum Va-0-0-0
Wiley ID 741010