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5-(azidomethyl)-6-butylbenzo[d][1,3]dioxole
SpectraBase Compound ID JGRN13U3e5G
InChI InChI=1S/C12H15N3O2/c1-2-3-4-9-5-11-12(17-8-16-11)6-10(9)7-14-15-13/h5-6H,2-4,7-8H2,1H3
InChIKey VZFCNIJIMRYUIT-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0YljuYmxyB
Name 5-(azidomethyl)-6-butylbenzo[d][1,3]dioxole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-2-3-4-9-5-11-12(17-8-16-11)6-10(9)7-14-15-13/h5-6H,2-4,7-8H2,1H3
InChIKey VZFCNIJIMRYUIT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 233.271 g/mol
Quality 217
Reported Formula C12H15N3O2
SMILES C(N=[N+]=[N-])C=1C(=CC2=C(OCO2)C1)CCCC
SPLASH splash10-000t-1920000000-6fd06f36d3c80bc272cd
Source of Spectrum ACI-56-SM18-6i (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.25 (Hexane/EtOAc, 20:1)
Wiley ID 1896010