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(2S,3R)-3-(2-Hydroxymethyl-3-phenylaziridin-1-yl)-2-(1-tert-butylethyl)quinazolin-4(3H)-one

View entire compound with spectra: 1 MS (GC)

(2S,3R)-3-(2-Hydroxymethyl-3-phenylaziridin-1-yl)-2-(1-tert-butylethyl)quinazolin-4(3H)-one
SpectraBase Compound ID BgYuAseCcSm
InChI InChI=1S/C23H27N3O2/c1-15(23(2,3)4)21-24-18-13-9-8-12-17(18)22(28)26(21)25-19(14-27)20(25)16-10-6-5-7-11-16/h5-13,15,19-20,27H,14H2,1-4H3/t15?,19-,20-,25?/m1/s1
InChIKey UKUPQMFLMFAXDE-HYRIMYRTSA-N
Mol Weight 377.49 g/mol
Molecular Formula C23H27N3O2
Exact Mass 377.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2CZ1sJnQD1
Name (2S,3R)-3-(2-Hydroxymethyl-3-phenylaziridin-1-yl)-2-(1-tert-butylethyl)quinazolin-4(3H)-one
Alternate Name(s) (S)-3-(2-Hydroxymethyl-3-phenylaziridin-1-yl)-2-(1-tert-butylethyl)quinazolin-4(3H)-one 3-[(2S,3R)-2-(hydroxymethyl)-3-phenylaziridinyl]-2-(1,2,2-trimethylpropyl)-4(3H)-quinazolinone
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Formula C23H27N3O2
InChI InChI=1S/C23H27N3O2/c1-15(23(2,3)4)21-24-18-13-9-8-12-17(18)22(28)26(21)25-19(14-27)20(25)16-10-6-5-7-11-16/h5-13,15,19-20,27H,14H2,1-4H3/t15?,19-,20-,25?/m1/s1
InChIKey UKUPQMFLMFAXDE-HYRIMYRTSA-N
Molecular Weight 377.488 g/mol
SMILES OC[C@]1(N(N2C(=Nc3c(C2=O)cccc3)C(C(C)(C)C)C)[C@@]1(c1ccccc1)[H])[H]
SPLASH splash10-006t-0709000000-4609c3f1edf0b2030222
Source of Spectrum KC-0-209-11
Wiley ID 821873