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(1R*,2R*,4R*,5S*,6S*)-5-Hydroxymethyl-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one
SpectraBase Compound ID 6TbnzgEXdKq
InChI InChI=1S/C9H12O3/c10-4-5-1-2-6-7-3-9(5,6)8(11)12-7/h5-7,10H,1-4H2/t5-,6+,7-,9+/m1/s1
InChIKey GQMGSNRATNEXMX-AYHNYZOXSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 278yWoY2TNj
Name (1R*,2R*,4R*,5S*,6S*)-5-Hydroxymethyl-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one
Alternate Name(s) (1S,2S,5R,6R)-2-(hydroxymethyl)-7-oxatricyclo[4.2.1.0(1,5)]nonan-8-one 3,5-Methano-2H-cyclopenta[b]furan-2-one, 3,3a,4,5,6,6a-hexahydro-7-syn-(hydroxymethyl)-, (3R,3a-trans,5-cis,6a-trans)-
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821236
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-4-5-1-2-6-7-3-9(5,6)8(11)12-7/h5-7,10H,1-4H2/t5-,6+,7-,9+/m1/s1
InChIKey GQMGSNRATNEXMX-AYHNYZOXSA-N
Molecular Weight 168.192 g/mol
SMILES OC[C@@]1([C@]23C(O[C@@](C3)([H])[C@@]2(CC1)[H])=O)[H]
SPLASH splash10-00le-9200000000-78dbcc1524f368eac92b
Source of Spectrum F-47-5532-23
Wiley ID 1164393