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(2S)-N-[3'-(1",12"-Dicarba-closo-dodecaborane(12)-1"-yl)propionyl]borane-10,2-sultam
SpectraBase Compound ID L0ob0GBARaF
InChI InChI=1S/C15H31B10NO3S/c1-12(2)9-3-5-13(12)8-30(28,29)26(10(13)7-9)11(27)4-6-15-21-16-14-17(16,21)19(14)20(14)18(14,16)22(15,16,21)24(15,18,20)25(15,19,20)23(15,17,19)21/h9-10,14,16-25H,3-8H2,1-2H3/t9-,10-,13-/m1/s1
InChIKey ZBDSFAYBQAMFDA-GIPNMCIBSA-N
Mol Weight 414 g/mol
Molecular Formula C15H31B10NO3S
Exact Mass 415.295517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g8yqSeBO4
Name (2S)-N-[3'-(1",12"-Dicarba-closo-dodecaborane(12)-1"-yl)propionyl]borane-10,2-sultam
Alternate Name(s) (2S)-N-[3'-(1'',12''-Dicarba-closo-dodecaborane(12)-1''-yl)propionyl]borane-10,2-sultam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H31B10NO3S
InChI InChI=1S/C15H31B10NO3S/c1-12(2)9-3-5-13(12)8-30(28,29)26(10(13)7-9)11(27)4-6-15-21-16-14-17(16,21)19(14)20(14)18(14,16)22(15,16,21)24(15,18,20)25(15,19,20)23(15,17,19)21/h9-10,14,16-25H,3-8H2,1-2H3/t9-,10-,13-/m1/s1
InChIKey ZBDSFAYBQAMFDA-GIPNMCIBSA-N
Molecular Weight 413.577 g/mol
SMILES [C]1234([BH]567[BH]228[BH]559[CH]%10%11%12[BH]%13%14%15[BH]37([BH]1%151[BH]483[BH]%11%141[BH]29%103)[BH]65%12%13)CCC(N1S(C[C@]23[C@]1(C[C@@](CC3)(C2(C)C)[H])[H])(=O)=O)=O
SPLASH splash10-014k-0900000000-0ea8d536cc0db691c2d5
Source of Spectrum F-52-9213-10
Wiley ID 797531