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(4R,5S,6S)-1-(Benzyloxy)-5-hydroxy-2,2,4,6-tetramethyl-8-nonen-3-one
SpectraBase Compound ID 76j0xV68RLx
InChI InChI=1S/C20H30O3/c1-6-10-15(2)18(21)16(3)19(22)20(4,5)14-23-13-17-11-8-7-9-12-17/h6-9,11-12,15-16,18,21H,1,10,13-14H2,2-5H3/t15-,16+,18-/m0/s1
InChIKey NRYUGGNQLJCIAI-JZXOWHBKSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yNnwM10HA
Name (4R,5S,6S)-1-(Benzyloxy)-5-hydroxy-2,2,4,6-tetramethyl-8-nonen-3-one
Alternate Name(s) (4R,5S,6S)-5-hydroxy-2,2,4,6-tetramethyl-1-phenylmethoxy-8-nonen-3-one (4R,5S,6S)-5-hydroxy-2,2,4,6-tetramethyl-1-phenylmethoxynon-8-en-3-one (4R,5S,6S)-1-benzyloxy-5-hydroxy-2,2,4,6-tetramethyl-non-8-en-3-one (4R,5S,6S)-2,2,4,6-tetramethyl-5-oxidanyl-1-phenylmethoxy-non-8-en-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-6-10-15(2)18(21)16(3)19(22)20(4,5)14-23-13-17-11-8-7-9-12-17/h6-9,11-12,15-16,18,21H,1,10,13-14H2,2-5H3/t15-,16+,18-/m0/s1
InChIKey NRYUGGNQLJCIAI-JZXOWHBKSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]([C@](C(C(COCc1ccccc1)(C)C)=O)(C)[H])([C@](CC=C)(C)[H])[H]
SPLASH splash10-0gb9-0009000000-bc0a6ca9c5ad23cf5fa0
Source of Spectrum C-122-10531-13
Wiley ID 1700423