2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole

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Systematic / IUPAC Name: 2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole

ID: Reference9662

Other Names: Benzoxazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-methyl-;
NAT31-456749

Formula: C20H20N2O3

Spectral Data

2-[(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole 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 305
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2020 11:07:48 AM
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Identificators

InChI InChI=1S/C20H20N2O3/c1-13-2-4-17-16(8-13)21-20(25-17)15-6-7-22(11-15)10-14-3-5-18-19(9-14)24-12-23-18/h2-5,8-9,15H,6-7,10-12H2,1H3/t15-/m0/s1
InChI Key JTKBQYJHIPZJQZ-HNNXBMFYSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC5=C(C=C4)OCO5
CAS
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Other Names Benzoxazole, 2-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-5-methyl-;
NAT31-456749

In Other Databases

PubChem 45784195
ChemSpider 29849935