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Paracetamol .beta.-D-glucuronide, tetra-O-TMS
SpectraBase Compound ID J1pmI5oGOpM
InChI InChI=1S/C26H49NO8Si4/c1-18(28)27-19-14-16-20(17-15-19)30-26-24(34-38(8,9)10)22(33-37(5,6)7)21(32-36(2,3)4)23(31-26)25(29)35-39(11,12)13/h14-17,21-24,26H,1-13H3,(H,27,28)
InChIKey AKLKGRLRHAKBBH-UHFFFAOYSA-N
Mol Weight 616.0 g/mol
Molecular Formula C26H49NO8Si4
Exact Mass 615.253524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KjyTVAR3kR
Name Paracetamol .beta.-D-glucuronide, tetra-O-TMS
CAS Registry Number 72088-06-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 615.253523674 u
Formula C26H49NO8Si4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C26H49NO8Si4/c1-18(28)27-19-14-16-20(17-15-19)30-26-24(34-38(8,9)10)22(33-37(5,6)7)21(32-36(2,3)4)23(31-26)25(29)35-39(11,12)13/h14-17,21-24,26H,1-13H3,(H,27,28)
InChIKey AKLKGRLRHAKBBH-UHFFFAOYSA-N
Molecular Weight 616.017 g/mol
Nominal Mass 615 u
Number of Peaks 66
SMILES N(c1ccc(cc1)OC1OC(C(O[Si](C)(C)C)=O)C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(C)=O
SPLASH splash10-00fr-3497000000-df698361bc8e12deb528
Source Sigma
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms p-Acetamidophenyl .beta.-D-glucuronide, tetra-O-TMS
Wiley ID VI001287