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(S)-7-Hydroxy-7-hydroxymethyl-4,4-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SpectraBase Compound ID GbOC01gIlUL
InChI InChI=1S/C13H20O3/c1-12(2)7-10(15)5-9-6-13(16,8-14)4-3-11(9)12/h5,11,14,16H,3-4,6-8H2,1-2H3/t11?,13-/m0/s1
InChIKey JURHHIQKQHXSON-YUZLPWPTSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nLBXKLwOg9
Name (S)-7-Hydroxy-7-hydroxymethyl-4,4-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-12(2)7-10(15)5-9-6-13(16,8-14)4-3-11(9)12/h5,11,14,16H,3-4,6-8H2,1-2H3/t11?,13-/m0/s1
InChIKey JURHHIQKQHXSON-YUZLPWPTSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@]1(CO)CC=2C(C(C)(C)CC(C2)=O)CC1
SPLASH splash10-0fk9-0930000000-ebac4c8a1c2a12259edf
Source of Spectrum F-65-4146-1a
Synonyms Neosarmentol I
Wiley ID 1680631