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object
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_id
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5gFaFMDOXIy
spectrumID
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5gFaFMDOXIy
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WMSL3X:196570:1
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Mass Spectrum (GC)
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1-{2'-[(2''-oxo-4''-benzyloxazolidin-3''-yl)carbonyl]ethyl}-[2'''-(diethoxycarbonyl)ethyl]-3,4-(methylene-1,3-dioxy)benzene
SpectraBase Compound ID Kr9yXWmXxse
InChI InChI=1S/C26H31NO7/c1-3-30-24(31-4-2)15-20(12-19-10-11-22-23(14-19)34-17-33-22)25(28)27-21(16-32-26(27)29)13-18-8-6-5-7-9-18/h5-11,14,20-21,24H,3-4,12-13,15-17H2,1-2H3/t20-,21?/m1/s1
InChIKey AJJQYZQTVBCPKE-VQCQRNETSA-N
Mol Weight 469.53 g/mol
Molecular Formula C26H31NO7
Exact Mass 469.210052 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gFaFMDOXIy
Name 1-{2'-[(2"-oxo-4"-benzyloxazolidin-3''-yl)carbonyl]ethyl}-[2"'-(diethoxycarbonyl)ethyl]-3,4-(methylene-1,3-dioxy)benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO7
InChI InChI=1S/C26H31NO7/c1-3-30-24(31-4-2)15-20(12-19-10-11-22-23(14-19)34-17-33-22)25(28)27-21(16-32-26(27)29)13-18-8-6-5-7-9-18/h5-11,14,20-21,24H,3-4,12-13,15-17H2,1-2H3/t20-,21?/m1/s1
InChIKey AJJQYZQTVBCPKE-VQCQRNETSA-N
Molecular Weight 469.534 g/mol
SMILES C(N1C(OCC1Cc1ccccc1)=O)([C@](Cc1cc2OCOc2cc1)(CC(OCC)OCC)[H])=O
SPLASH splash10-0006-9000000000-0affabdabde1b675eded
Source of Spectrum SK-28-3052-5
Synonyms 1-{2'(R)-[(2''-oxo-4''-benzyloxazolidin-3''-yl)carbonyl]ethyl}-[2'''-(diethoxycarbonyl)ethyl]-3,4-(methylene-1,3-dioxy)benzene 1-{2'-[(2''-oxo-4''-benzyloxazolidin-3''-yl)carbonyl]ethyl}-[2'''-(diethoxycarbonyl)ethyl]-3,4-(methylene-1,3-dioxy)benzene
Wiley ID 868644
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