1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea

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Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-prop-2-enylurea

ID: Reference9875

Other Names: NAT17-347005

Formula: C16H20N2O4S

Spectral Data

1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea 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 2
No. of Spectra 4060
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/18/2020 9:39:35 AM
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Identificators

InChI InChI=1S/C16H20N2O4S/c1-2-8-17-16(20)18-12-11-9-21-15(22-11)14(13(12)19)23-10-6-4-3-5-7-10/h2-7,11-15,19H,1,8-9H2,(H2,17,18,20)/t11-,12-,13+,14-,15-/m1/s1
InChI Key CWGWHSXCPHZSAP-UXXRCYHCSA-N
Canonical SMILES C=CCNC(=O)NC1C2COC(O2)C(C1O)SC3=CC=CC=C3
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Other Names NAT17-347005

In Other Databases

PubChem 25314446
ChemSpider 21385893