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grossularine-2

View entire compound with spectra: 3 NMR, and 2 MS (GC)

grossularine-2
SpectraBase Compound ID 92QH2ini2Bt
InChI InChI=1S/C21H17N5O2/c1-26(2)21-24-16-15-13-5-3-4-6-14(13)22-20(15)23-18(17(16)25-21)19(28)11-7-9-12(27)10-8-11/h3-10,27H,1-2H3,(H,22,23)(H,24,25)
InChIKey OGSOWFWOXWWJSA-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C21H17N5O2
Exact Mass 371.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmOu1YoqeFl
Name grossularine-2
CAS Registry Number 102488-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O2
InChI InChI=1S/C21H17N5O2/c1-26(2)21-24-16-15-13-5-3-4-6-14(13)22-20(15)23-18(17(16)25-21)19(28)11-7-9-12(27)10-8-11/h3-10,27H,1-2H3,(H,22,23)(H,24,25)
InChIKey OGSOWFWOXWWJSA-UHFFFAOYSA-N
Molecular Weight 371.400 g/mol
SMILES [nH]1c(nc2c(C(c3ccc(cc3)O)=O)nc3c(c12)c1c(cccc1)[nH]3)N(C)C
SPLASH splash10-00di-0019000000-6a3e7ed2c1c0a6f314a4
Source of Spectrum J-60-5903-1
Wiley ID 1354975