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Crambine A - pyrimidine derivative

View entire compound with spectra: 1 MS (GC)

Crambine A - pyrimidine derivative
SpectraBase Compound ID A00LcvoZrYu
InChI InChI=1S/C29H48N6O2/c1-4-5-6-7-8-9-10-11-12-16-24-26(25-17-15-19-35(25)28(30)34-24)27(36)37-20-14-13-18-31-29-32-22(2)21-23(3)33-29/h21,24H,4-20H2,1-3H3,(H2,30,34)(H,31,32,33)
InChIKey ASAKBCPLFWSJJF-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C29H48N6O2
Exact Mass 512.383875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YIujCE2G7P
Name Crambine A - pyrimidine derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48N6O2
InChI InChI=1S/C29H48N6O2/c1-4-5-6-7-8-9-10-11-12-16-24-26(25-17-15-19-35(25)28(30)34-24)27(36)37-20-14-13-18-31-29-32-22(2)21-23(3)33-29/h21,24H,4-20H2,1-3H3,(H2,30,34)(H,31,32,33)
InChIKey ASAKBCPLFWSJJF-UHFFFAOYSA-N
Molecular Weight 512.743 g/mol
SMILES NC=1N2C(=C(C(OCCCCNc3nc(C)cc(n3)C)=O)C(N1)CCCCCCCCCCC)CCC2
SPLASH splash10-001i-0906000000-4cb0a43a5c44e1f7a038
Source of Spectrum X2-55-532-6
Wiley ID 1604404