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3-Bromo-4-[(t-butoxycarbonyl) amino]-1,6-methano[10]annulene
SpectraBase Compound ID BakBaIYOZJy
InChI InChI=1S/C16H18BrNO2/c1-16(2,3)20-15(19)18-14-10-12-7-5-4-6-11(8-12)9-13(14)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKey QQAAYDNNAIFNNG-UHFFFAOYSA-N
Mol Weight 336.23 g/mol
Molecular Formula C16H18BrNO2
Exact Mass 335.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ1GN2k8pe5
Name 3-Bromo-4-[(t-butoxycarbonyl) amino]-1,6-methano[10]annulene
Alternate Name(s) tert-Butyl 4-bromobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-3-ylcarbamate
CAS Registry Number 142797-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrNO2
InChI InChI=1S/C16H18BrNO2/c1-16(2,3)20-15(19)18-14-10-12-7-5-4-6-11(8-12)9-13(14)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKey QQAAYDNNAIFNNG-UHFFFAOYSA-N
Molecular Weight 336.229 g/mol
SMILES N(C(OC(C)(C)C)=O)C=1C(=CC2=CC=CC=C(C1)C2)Br
SPLASH splash10-0pc0-0960000000-c9be18a151c243e7d284
Source of Spectrum K-125-2229-12
Wiley ID 1331585