(6R)-4-(Methylsulfonyl)-6-phenoxy-1,4-oxazepane

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Systematic / IUPAC Name: (6R)-4-Methylsulfonyl-6-phenoxy-1,4-oxazepane

ID: Reference12589

Other Names: NAT47-552084

Formula: C12H17NO4S

Spectral Data

(6R)-4-(Methylsulfonyl)-6-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 691
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 8:09:26 AM
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Identificators

InChI InChI=1S/C12H17NO4S/c1-18(14,15)13-7-8-16-10-12(9-13)17-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChI Key RNVGWMRIPCSIFL-GFCCVEGCSA-N
Canonical SMILES CS(=O)(=O)N1CCOCC(C1)OC2=CC=CC=C2
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Other Names NAT47-552084

In Other Databases

PubChem 75367677
ChemSpider 29855426