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(4S)-4-benzoxy-5-trityloxy-valeric acid 1-methylallyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4S)-4-benzoxy-5-trityloxy-valeric acid 1-methylallyl ester
SpectraBase Compound ID AWkhLZ6O7RT
InChI InChI=1S/C35H36O4/c1-3-28(2)39-34(36)25-24-33(37-26-29-16-8-4-9-17-29)27-38-35(30-18-10-5-11-19-30,31-20-12-6-13-21-31)32-22-14-7-15-23-32/h3-23,28,33H,1,24-27H2,2H3/t28?,33-/m0/s1
InChIKey RDCNYWLYNSVLSX-OVUYURIWSA-N
Mol Weight 520.7 g/mol
Molecular Formula C35H36O4
Exact Mass 520.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISWF1KAN1Vw
Name (4S)-4-Benzoxy-5-trityloxy-valeric acid 1-methylallyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.261359635 u
Formula C35H36O4
InChI InChI=1S/C35H36O4/c1-3-28(2)39-34(36)25-24-33(37-26-29-16-8-4-9-17-29)27-38-35(30-18-10-5-11-19-30,31-20-12-6-13-21-31)32-22-14-7-15-23-32/h3-23,28,33H,1,24-27H2,2H3/t28?,33-/m0/s1
InChIKey RDCNYWLYNSVLSX-OVUYURIWSA-N
Molecular Weight 520.669 g/mol
SMILES C(OC[C@@](OCC1=CC=CC=C1)(CCC(=O)OC(C=C)C)[H])(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1