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2-[(2S)-2-(Bromomethyl)pyrrolidin-1-yl]-1,3-benzoxazole
SpectraBase Compound ID L9aMJvqPKd3
InChI InChI=1S/C12H13BrN2O/c13-8-9-4-3-7-15(9)12-14-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2/t9-/m0/s1
InChIKey RRSQROLCVFOUDR-VIFPVBQESA-N
Mol Weight 281.15 g/mol
Molecular Formula C12H13BrN2O
Exact Mass 280.021126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BjfxCdJRGY
Name 2-[(2S)-2-(Bromomethyl)pyrrolidin-1-yl]-1,3-benzoxazole
Alternate Name(s) (S)-2-(2-(bromomethyl)pyrrolidin-1-yl)benzo[d]oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O
InChI InChI=1S/C12H13BrN2O/c13-8-9-4-3-7-15(9)12-14-10-5-1-2-6-11(10)16-12/h1-2,5-6,9H,3-4,7-8H2/t9-/m0/s1
InChIKey RRSQROLCVFOUDR-VIFPVBQESA-N
Molecular Weight 281.153 g/mol
SMILES c1(oc2c(n1)cccc2)N1[C@@](CCC1)(CBr)[H]
SPLASH splash10-000i-0940000000-070df98a5c7be29032c0
Source of Spectrum H-95-2186-(S)_8
Wiley ID 1784242