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6-Amino-3-(3-benzyloxymethyl-2,2-difluoro-cyclopropylmethyl)-3H-pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

6-Amino-3-(3-benzyloxymethyl-2,2-difluoro-cyclopropylmethyl)-3H-pyrimidin-4-one
SpectraBase Compound ID KdP7xqbQqiU
InChI InChI=1S/C16H17F2N3O2/c17-16(18)12(7-21-10-20-14(19)6-15(21)22)13(16)9-23-8-11-4-2-1-3-5-11/h1-6,10,12-13H,7-9,19H2
InChIKey AMKWGJTZMOCMFB-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H17F2N3O2
Exact Mass 321.128883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81YZMVF7ci7
Name 6-Amino-3-(3-benzyloxymethyl-2,2-difluoro-cyclopropylmethyl)-3H-pyrimidin-4-one
Alternate Name(s) (+-)-4-Amino-1-[(1SR,3RS)-3-benzyloxymethyl-2,2-difluorocyclopropylmethyl]-1,2,3,4-tetrahydro-6-pyrimidinone 6-Amino-3-({3-[(benzyloxy)methyl]-2,2-difluorocyclopropyl}methyl)-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F2N3O2
InChI InChI=1S/C16H17F2N3O2/c17-16(18)12(7-21-10-20-14(19)6-15(21)22)13(16)9-23-8-11-4-2-1-3-5-11/h1-6,10,12-13H,7-9,19H2
InChIKey AMKWGJTZMOCMFB-UHFFFAOYSA-N
Molecular Weight 321.328 g/mol
SMILES NC=1N=CN(CC2C(F)(F)C2COCc2ccccc2)C(C1)=O
SPLASH splash10-0002-2940000000-e34a3102edaae2fe9702
Source of Spectrum F-54-6451-13
Wiley ID 807424