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N-(8-azido-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
SpectraBase Compound ID HDmoS5H0wsY
InChI InChI=1S/C12H13N5O5/c1-7(18)14-11-10(15-16-13)8(17(19)20)6-9-12(11)22-5-3-2-4-21-9/h6H,2-5H2,1H3,(H,14,18)
InChIKey LQEOXWJLQGKGES-UHFFFAOYSA-N
Mol Weight 307.27 g/mol
Molecular Formula C12H13N5O5
Exact Mass 307.091669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mHl2El0q0
Name N-(8-azido-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
Alternate Name(s) N-(8-azido-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O5
InChI InChI=1S/C12H13N5O5/c1-7(18)14-11-10(15-16-13)8(17(19)20)6-9-12(11)22-5-3-2-4-21-9/h6H,2-5H2,1H3,(H,14,18)
InChIKey LQEOXWJLQGKGES-UHFFFAOYSA-N
Molecular Weight 307.266 g/mol
SMILES N(c1c(c(N(=O)=O)cc2c1OCCCCO2)N=[N+]=[N-])C(=O)C
SPLASH splash10-0a4u-9260000000-ec6a20eda6b4fa73d0e5
Source of Spectrum O-28-95-0
Wiley ID 1308783