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(3AR*,7AR*)-7A-HYDROXYMETHYL-3A-METHYLOCTAHYDRO-5H-INDEN-5-ONE
SpectraBase Compound ID 5THsAIYQY4J
InChI InChI=1S/C11H18O2/c1-10-4-2-5-11(10,8-12)6-3-9(13)7-10/h12H,2-8H2,1H3/t10-,11+/m1/s1
InChIKey WLDXVEBUTIRSMN-MNOVXSKESA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HmQoJyvGF6
Name (3aR,7aR)-3a-methyl-7a-methylol-1,2,3,4,6,7-hexahydroinden-5-one
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820981
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-10-4-2-5-11(10,8-12)6-3-9(13)7-10/h12H,2-8H2,1H3/t10-,11+/m1/s1
InChIKey WLDXVEBUTIRSMN-MNOVXSKESA-N
Molecular Weight 182.263 g/mol
SMILES OC[C@]12[C@@](CC(=O)CC2)(CCC1)C
SPLASH splash10-056r-9000000000-7d12a22d79978ee48f9d
Source of Spectrum K1-0-368-40
Synonyms (3aR,7aR)-7a-(hydroxymethyl)-3a-methyl-1,2,3,4,6,7-hexahydroinden-5-one
Wiley ID 1588228