(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(dimethylamino)-1-{[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: (2R,3S,6S)-6-[(5-tert-Butyl-1,2-oxazol-3-yl)methyl]-2-[(dimethylamino)methyl]oxan-3-ol

ID: Reference12573

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(dimethylamino)-1-[5-(1,1-dimethylethyl)-3-isoxazolyl]-;
NAT12-540317

Formula: C16H28N2O3

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-(dimethylamino)-1-{[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol 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 299
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2023 2:31:43 PM
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Identificators

InChI InChI=1S/C16H28N2O3/c1-16(2,3)15-9-11(17-21-15)8-12-6-7-13(19)14(20-12)10-18(4)5/h9,12-14,19H,6-8,10H2,1-5H3/t12-,13-,14+/m0/s1
InChI Key WNRVKIANMQWONF-MELADBBJSA-N
Canonical SMILES CC(C)(C)C1=CC(=NO1)CC2CCC(C(O2)CN(C)C)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-(dimethylamino)-1-[5-(1,1-dimethylethyl)-3-isoxazolyl]-;
NAT12-540317

In Other Databases

PubChem 75366936
ChemSpider 29848845