For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

.beta.-D-Glucopyranosiduronic acid, 4-[acetyl(trimethylsilyl)amino]phenyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester

View entire compound with spectra: 3 MS (GC)

.beta.-D-Glucopyranosiduronic acid, 4-[acetyl(trimethylsilyl)amino]phenyl 2,3,4-tris-O-(trimethylsilyl)-, trimethylsilyl ester
SpectraBase Compound ID Ad3Z0Mgg3tx
InChI InChI=1S/C29H57NO8Si5/c1-21(31)30(39(2,3)4)22-17-19-23(20-18-22)33-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(34-29)28(32)38-43(14,15)16/h17-20,24-27,29H,1-16H3
InChIKey PKXHUOYUDRBHHR-UHFFFAOYSA-N
Mol Weight 688.2 g/mol
Molecular Formula C29H57NO8Si5
Exact Mass 687.29305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID TnXgPBCbtb
Name Paracetamol .beta.-D-glucuronide, penta-TMS
CAS Registry Number 55836-51-6
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 687.293050466 u
Formula C29H57NO8Si5
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C29H57NO8Si5/c1-21(31)30(39(2,3)4)22-17-19-23(20-18-22)33-29-27(37-42(11,12)13)25(36-41(8,9)10)24(35-40(5,6)7)26(34-29)28(32)38-43(14,15)16/h17-20,24-27,29H,1-16H3
InChIKey PKXHUOYUDRBHHR-UHFFFAOYSA-N
Molecular Weight 688.199 g/mol
Nominal Mass 687 u
Number of Peaks 200
SMILES c1c(ccc(c1)N(C(C)=O)[Si](C)(C)C)OC1OC(C(O[Si](C)(C)C)=O)C(C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-002b-2394000000-2e15f64182bfdb529b24
Source Sigma
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001286