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4,7-Methano-1H-indene-1-carboxylic acid, 2-(dibromomethyl)-2,3,3a,4,7,7a-hexahydro-, methyl ester, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
SpectraBase Compound ID JFNsPVsu5EL
InChI InChI=1S/C13H16Br2O2/c1-17-13(16)11-9(12(14)15)5-8-6-2-3-7(4-6)10(8)11/h2-3,6-12H,4-5H2,1H3/t6-,7+,8-,9-,10+,11-/m1/s1
InChIKey MUHLYPQGDALOCA-FKSVDQQFSA-N
Mol Weight 364.08 g/mol
Molecular Formula C13H16Br2O2
Exact Mass 361.951706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59SG2auTt0C
Name 4,7-Methano-1H-indene-1-carboxylic acid, 2-(dibromomethyl)-2,3,3a,4,7,7a-hexahydro-, methyl ester, (1.alpha.,2.alpha.,3a.beta.,4.beta.,7.beta.,7a.beta.)-
CAS Registry Number 68303-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16Br2O2
InChI InChI=1S/C13H16Br2O2/c1-17-13(16)11-9(12(14)15)5-8-6-2-3-7(4-6)10(8)11/h2-3,6-12H,4-5H2,1H3/t6-,7+,8-,9-,10+,11-/m1/s1
InChIKey MUHLYPQGDALOCA-FKSVDQQFSA-N
Molecular Weight 364.077 g/mol
SMILES [C@@]12([C@@]([C@](C(Br)Br)(C[C@@]2([C@@]2([H])C[C@@]1(C=C2)[H])[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-014i-9050000000-ffba5cd63871e8cd8f7c
Source of Spectrum K-111-3270-0
Synonyms Methyl (1R,2R,3S,4R,6R,7S)-4-(dibromomethyl)tricyclo[5.2.1.0(2,6)]dec-8-ene-3-carboxylate Methyl ester of 4c-(dibromomethyl)tricyclo(5.2.1.0*2,6)dec-8-en-3R-carboxylic acid
Wiley ID 1349243