(6R)-4-(4-Methoxybenzyl)-6-(3-methylbutoxy)-1,4-oxazepane

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Systematic / IUPAC Name: (6R)-4-[(4-Methoxyphenyl)methyl]-6-(3-methylbutoxy)-1,4-oxazepane

ID: Reference12845

Other Names: NAT47-560713

Formula: C18H29NO3

Spectral Data

(6R)-4-(4-Methoxybenzyl)-6-(3-methylbutoxy)-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 285
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/27/2023 7:38:19 AM
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Identificators

InChI InChI=1S/C18H29NO3/c1-15(2)8-10-22-18-13-19(9-11-21-14-18)12-16-4-6-17(20-3)7-5-16/h4-7,15,18H,8-14H2,1-3H3/t18-/m1/s1
InChI Key YKEAOAQWYKTPNA-GOSISDBHSA-N
Canonical SMILES CC(C)CCOC1CN(CCOC1)CC2=CC=C(C=C2)OC
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Other Names NAT47-560713

In Other Databases

PubChem 75367805
ChEMBL CHEMBL3437062
ChemSpider 29855712