Debug Info

object
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_id
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B00dJCyjSQi
spectrumID
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B00dJCyjSQi
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(4S,5S)-4-formyl-5-hydroxy-5-phenyl-valeric acid ethyl ester
SpectraBase Compound ID F0GDq2ul7ZD
InChI InChI=1S/C14H18O4/c1-2-18-13(16)9-8-12(10-15)14(17)11-6-4-3-5-7-11/h3-7,10,12,14,17H,2,8-9H2,1H3/t12-,14-/m1/s1
InChIKey GTYXWAKDYHQJDD-TZMCWYRMSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B00dJCyjSQi
Name (4S,5S)-4-formyl-5-hydroxy-5-phenyl-valeric acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-2-18-13(16)9-8-12(10-15)14(17)11-6-4-3-5-7-11/h3-7,10,12,14,17H,2,8-9H2,1H3/t12-,14-/m1/s1
InChIKey GTYXWAKDYHQJDD-TZMCWYRMSA-N
Molecular Weight 250.294 g/mol
SMILES O[C@@]([C@](CCC(=O)OCC)(C=O)[H])(c1ccccc1)[H]
SPLASH splash10-0a6r-3930000000-c39b21cca95b7ef53c04
Source of Spectrum KC-0-3625-9
Synonyms (4S,5S)-4-formyl-5-hydroxy-5-phenylpentanoic acid ethyl ester Ethyl (4S,5S)-4-formyl-5-hydroxy-5-phenyl-pentanoate Ethyl (4S,5S)-4-methanoyl-5-oxidanyl-5-phenyl-pentanoate
Wiley ID 831914
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