For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID Cgxmmqk93uO
InChI InChI=1S/C19H27N3O3/c1-19(2,3)25-18(23)22-5-4-15(22)12-24-17-7-16(8-20-9-17)21-10-13-6-14(13)11-21/h7-9,13-15H,4-6,10-12H2,1-3H3/t13?,14?,15-/m0/s1
InChIKey PDTRUHINRSKQOA-NRXISQOPSA-N
Mol Weight 345.44 g/mol
Molecular Formula C19H27N3O3
Exact Mass 345.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JWIS4TBWSE9
Name 3-[5-[[1-(tert-Butoxycarbonyl)-2(S)-azetidinyl]methoxy]-3-pyridyl]-3-azabicyclo[3.1.0]hexane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27N3O3
InChI InChI=1S/C19H27N3O3/c1-19(2,3)25-18(23)22-5-4-15(22)12-24-17-7-16(8-20-9-17)21-10-13-6-14(13)11-21/h7-9,13-15H,4-6,10-12H2,1-3H3/t13?,14?,15-/m0/s1
InChIKey PDTRUHINRSKQOA-NRXISQOPSA-N
Ionization Type EI
Molecular Weight 345.443 g/mol
Optical Rotation [a]D589 = -64.5 (c = 8.30 g/L, EtOAc)
SMILES c1(OC[C@@]2(CCN2C(OC(C)(C)C)=O)[H])cncc(N2CC3C(C2)C3)c1
SPLASH splash10-056u-9711000000-16eae764b7345955aac6
Source of Spectrum US20100152450A1
Wiley ID 1842420