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2-Butanol, 1-[(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl)amino]-
SpectraBase Compound ID 3c6QKHhwn7J
InChI InChI=1S/C17H21N3O/c1-2-13(21)10-18-17-15-9-5-7-12-6-3-4-8-14(12)16(15)19-11-20-17/h3-4,6,8,11,13,21H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKey YLFQHEPBWIUSEQ-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C17H21N3O
Exact Mass 283.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCGXfLvxfRf
Name 2-Butanol, 1-[(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-yl)amino]-
Alternate Name(s) 5H-Benzo[6,7]cyclohepta[1,2-d]pyrimidine, 2-butanol deriv. 1-(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-4-ylamino)-2-butanol 4-(2-Hydroxybutylamino)-6,7-dihydro-5H-benzo[3,4]cyclohepta[1,2-d]pyrimidine 1-(6,7-dihydro-5H-benzo[1,2]cyclohepta[3,4-d]pyrimidin-4-ylamino)-2-butanol
CAS Registry Number 130043-24-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O
InChI InChI=1S/C17H21N3O/c1-2-13(21)10-18-17-15-9-5-7-12-6-3-4-8-14(12)16(15)19-11-20-17/h3-4,6,8,11,13,21H,2,5,7,9-10H2,1H3,(H,18,19,20)
InChIKey YLFQHEPBWIUSEQ-UHFFFAOYSA-N
Molecular Weight 283.375 g/mol
SMILES N(c1c2c(-c3c(cccc3)CCC2)ncn1)CC(O)CC
SPLASH splash10-0udi-0090000000-486c415e1a1491517922
Source of Spectrum Y-27-762-0
Wiley ID 1287124