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(3S)-3-{[(3'R)-3'-Hydroxybutanoyl]oxy}butanoicAcidtert-ButylEster
SpectraBase Compound ID F4qtWkwjMJU
InChI InChI=1S/C12H22O5/c1-8(13)6-10(14)16-9(2)7-11(15)17-12(3,4)5/h8-9,13H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKey QLXTYEAOSUPHQK-BDAKNGLRSA-N
Mol Weight 246.3 g/mol
Molecular Formula C12H22O5
Exact Mass 246.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL7wyTG1XDv
Name (3S)-3-{[(3'R)-3'-Hydroxybutanoyl]oxy}butanoicAcidtert-ButylEster
Alternate Name(s) (S)-4-(tert-butoxy)-4-oxobutan-2-yl (R)-3-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5
InChI InChI=1S/C12H22O5/c1-8(13)6-10(14)16-9(2)7-11(15)17-12(3,4)5/h8-9,13H,6-7H2,1-5H3/t8-,9+/m1/s1
InChIKey QLXTYEAOSUPHQK-BDAKNGLRSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981216)81_12_2430
Molecular Weight 246.303 g/mol
SMILES O[C@@](CC(=O)O[C@](CC(=O)OC(C)(C)C)(C)[H])(C)[H]
SPLASH splash10-0a4r-9600000000-0c20c9d8e3ef6860ee88
Source of Spectrum H-81-2449-4c
Wiley ID 1787483