(6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepane

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Systematic / IUPAC Name: (6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-6-(4-methylsulfonylphenoxy)-1,4-oxazepane

ID: Reference12926

Other Names: NAT47-552478

Formula: C18H24N2O4S2

Spectral Data

(6R)-4-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-6-[4-(methylsulfonyl)phenoxy]-1,4-oxazepane mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 904
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2023 3:02:56 PM
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Identificators

InChI InChI=1S/C18H24N2O4S2/c1-13-18(25-14(2)19-13)11-20-8-9-23-12-16(10-20)24-15-4-6-17(7-5-15)26(3,21)22/h4-7,16H,8-12H2,1-3H3/t16-/m1/s1
InChI Key CLKBBJMLEARRJH-MRXNPFEDSA-N
Canonical SMILES CC1=C(SC(=N1)C)CN2CCOCC(C2)OC3=CC=C(C=C3)S(=O)(=O)C
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Other Names NAT47-552478

In Other Databases

ChEMBL CHEMBL3437308
ChemSpider 29855548
PubChem 75367729