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(+/-)-7-Hydroxymethyl-hexahydro-cyclopentapyran-2-one
SpectraBase Compound ID 2TAfIcK8Nfk
InChI InChI=1S/C9H14O3/c10-5-7-2-1-6-3-4-8(11)12-9(6)7/h6-7,9-10H,1-5H2/t6-,7-,9+/m0/s1
InChIKey DVYBBSFYJJHYIQ-ACLDMZEESA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zwdXvnn5Yn
Name (+/-)-7-Hydroxymethyl-hexahydro-cyclopentapyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-5-7-2-1-6-3-4-8(11)12-9(6)7/h6-7,9-10H,1-5H2/t6-,7-,9+/m0/s1
InChIKey DVYBBSFYJJHYIQ-ACLDMZEESA-N
Literature Reference DOI 10.1021/ol1002847
Molecular Weight 170.208 g/mol
SMILES OC[C@]1([C@]2([C@](CC1)([H])CCC(O2)=O)[H])[H]
SPLASH splash10-03di-8900000000-b0a5f3385932b876948f
Source of Spectrum A1-12-1548/SMS10-2h
Synonyms (4aS,7S,7aR)-7-(hydroxymethyl)hexahydrocyclopenta[b]pyran-2(3H)-one (4aS,7S,7aR)-7-(hydroxymethyl)-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyran-2-one
Wiley ID 1752053