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2(1H)-Pyrimidinone, 1-(4-iodobutyl)-4-[(triphenylmethyl)amino]-
SpectraBase Compound ID 88hej4GOItE
InChI InChI=1S/C27H26IN3O/c28-19-10-11-20-31-21-18-25(29-26(31)32)30-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,21H,10-11,19-20H2,(H,29,30,32)
InChIKey BUPFQLPBXKWXHH-UHFFFAOYSA-N
Mol Weight 535.43 g/mol
Molecular Formula C27H26IN3O
Exact Mass 535.112057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Ybd1zcu9o
Name 2(1H)-Pyrimidinone, 1-(4-iodobutyl)-4-[(triphenylmethyl)amino]-
Alternate Name(s) 1-(4-iodobutyl)-4-(tritylamino)-2(1H)-pyrimidinone 1-(4-Iodobutyl)-n4-tritylcytosine
CAS Registry Number 130798-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26IN3O
InChI InChI=1S/C27H26IN3O/c28-19-10-11-20-31-21-18-25(29-26(31)32)30-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,21H,10-11,19-20H2,(H,29,30,32)
InChIKey BUPFQLPBXKWXHH-UHFFFAOYSA-N
Molecular Weight 535.429 g/mol
SMILES N(C(c1ccccc1)(c1ccccc1)c1ccccc1)C1=NC(N(CCCCI)C=C1)=O
SPLASH splash10-00kf-0790000000-270ab224b9f36ee49a11
Source of Spectrum C-113-983-9
Wiley ID 1403940