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Bortezomib
SpectraBase Compound ID Jn12Jtz4NHC
InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKey GXJABQQUPOEUTA-UHFFFAOYSA-N
Mol Weight 384.2 g/mol
Molecular Formula C19H25BN4O4
Exact Mass 384.196885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dXeK1xviy
Name Bortezomib
CAS Registry Number 179324-69-7
Classification Cytostatic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 384.196885467 u
Formula C19H25N4O4B
InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKey GXJABQQUPOEUTA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 384.243 g/mol
SMILES c1c(CC(NC(c2nccnc2)=O)C(NC(B(O)O)CC(C)C)=O)cccc1
SPLASH splash10-00bi-9440000000-22369bc280535436bdec
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_8281