Debug Info

object
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_id
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2nhrlPnySIV
spectrumID
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2nhrlPnySIV
cost
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specType
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131072
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dbLocation
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WMS3X:272301:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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(S)-5-{(2R,5S)-5-Ethyl-5-[(R)-1,2-dihydroxyethyl]-5-methyloxolan-2-yl}oxolan-2-one
SpectraBase Compound ID 1DZ3TCxvQ7g
InChI InChI=1S/C13H22O5/c1-3-13(9(15)8-14)7-4-10(17-13)12(2)6-5-11(16)18-12/h9-10,14-15H,3-8H2,1-2H3/t9-,10-,12+,13+/m1/s1
InChIKey HQMJVSMJDYJWOQ-AAXDQBDMSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nhrlPnySIV
Name (S)-5-{(2R,5S)-5-Ethyl-5-[(R)-1,2-dihydroxyethyl]-5-methyloxolan-2-yl}oxolan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-3-13(9(15)8-14)7-4-10(17-13)12(2)6-5-11(16)18-12/h9-10,14-15H,3-8H2,1-2H3/t9-,10-,12+,13+/m1/s1
InChIKey HQMJVSMJDYJWOQ-AAXDQBDMSA-N
Molecular Weight 258.314 g/mol
SMILES O[C@](CO)([C@]1(O[C@@]([C@]2(OC(=O)CC2)C)(CC1)[H])CC)[H]
SPLASH splash10-0005-6900000000-4eb6eccd1c8e9f771698
Source of Spectrum KC-0-29-82
Synonyms (2R,2'S,5'S)-5'-((R)-1,2-Dihydroxy-ethyl)-5'-ethyl-2-methyl-tetrahydro-[2,2']bifuranyl-5-one (5S)-5-[(2R)-5-[(1R)-1,2-dihydroxyethyl]-5-ethyl-5-methyloxolan-2-yl]oxolan-2-one (S)-5-(2R,5S)-5-methyl-{5-[(R)-1,2-dihydroxyethyl]-5-ethyloxolan-2-yl}oxolan-2-one
Wiley ID 824158
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