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tert-Butyl (R)-(1-(benzo[b]thiophen-5-yl)-2-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)ethyl)carbamate
SpectraBase Compound ID 4UTO5lKMyoP
InChI InChI=1S/C21H25NO5S/c1-20(2,3)27-19(24)22-16(11-15-12-18(23)26-21(4,5)25-15)13-6-7-17-14(10-13)8-9-28-17/h6-10,12,16H,11H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKey RBWCMXRWTVAIPW-MRXNPFEDSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbJbQbhUJ48
Name tert-Butyl (R)-(1-(benzo[b]thiophen-5-yl)-2-(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)ethyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-20(2,3)27-19(24)22-16(11-15-12-18(23)26-21(4,5)25-15)13-6-7-17-14(10-13)8-9-28-17/h6-10,12,16H,11H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKey RBWCMXRWTVAIPW-MRXNPFEDSA-N
Literature Reference DOI 10.1002/anie.201407532
Molecular Weight 403.493 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CC=1OC(OC(C1)=O)(C)C)(c1cc2c(cc1)scc2)[H]
SPLASH splash10-052g-9030000000-ed92862bb1eb3d86c8f7
Source of Spectrum ACI-53-SMS-13-(R)_4s
Wiley ID 1782846