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7a-tert-Butyl-3a,7a-dihydro-5-iodo-6-methoxy-3H-indazolequinone
SpectraBase Compound ID EejtlYcBv8m
InChI InChI=1S/C12H15IN2O3/c1-11(2,3)12-6(5-14-15-12)8(16)7(13)9(18-4)10(12)17/h6H,5H2,1-4H3
InChIKey ICTGEVOFMUGJLD-UHFFFAOYSA-N
Mol Weight 362.17 g/mol
Molecular Formula C12H15IN2O3
Exact Mass 362.012737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ivfaxyr1P5g
Name 7a-tert-Butyl-3a,7a-dihydro-5-iodo-6-methoxy-3H-indazolequinone
CAS Registry Number 68297-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15IN2O3
InChI InChI=1S/C12H15IN2O3/c1-11(2,3)12-6(5-14-15-12)8(16)7(13)9(18-4)10(12)17/h6H,5H2,1-4H3
InChIKey ICTGEVOFMUGJLD-UHFFFAOYSA-N
Molecular Weight 362.167 g/mol
SMILES C12(C(C(OC)=C(C(C2CN=N1)=O)I)=O)C(C)(C)C
SPLASH splash10-001i-0019000000-a9b00d5790637d72ed91
Source of Spectrum J-44-432-0
Synonyms 7a-tert-butyl-5-iodo-6-methoxy-3a,7a-dihydro-3H-indazole-4,7-dione
Wiley ID 1349226