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(1-(2-azido-3-iodo-5-methylbenzoyl)cyclopropyl)(phenyl)methanone
SpectraBase Compound ID 4v2JvvKcjdq
InChI InChI=1S/C18H14IN3O2/c1-11-9-13(15(21-22-20)14(19)10-11)17(24)18(7-8-18)16(23)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKey WUBAVQRKZRQWNZ-UHFFFAOYSA-N
Mol Weight 431.23 g/mol
Molecular Formula C18H14IN3O2
Exact Mass 431.013072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbxSvVQFXXv
Name (1-(2-azido-3-iodo-5-methylbenzoyl)cyclopropyl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14IN3O2
InChI InChI=1S/C18H14IN3O2/c1-11-9-13(15(21-22-20)14(19)10-11)17(24)18(7-8-18)16(23)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKey WUBAVQRKZRQWNZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400223d
Molecular Weight 431.233 g/mol
SMILES c1(C(C2(CC2)C(=O)c2c(c(cc(c2)C)I)N=[N+]=[N-])=O)ccccc1
SPLASH splash10-056r-5930200000-1d7a2a13eaeaba877c45
Source of Spectrum A1-15-1282/SM23-1m
Wiley ID 1748426