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(3R,4R,6S)-4-bromanyl-6-[(E,2S)-4-chloranyl-2-oxidanyl-but-3-en-2-yl]-3-methyl-oxan-3-ol
SpectraBase Compound ID 9AcpZ6akv3o
InChI InChI=1S/C10H16BrClO3/c1-9(13,3-4-12)8-5-7(11)10(2,14)6-15-8/h3-4,7-8,13-14H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10-/m1/s1
InChIKey CXSUPLDYPUBCTI-QRSKOWNHSA-N
Mol Weight 299.59 g/mol
Molecular Formula C10H16BrClO3
Exact Mass 297.997135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43IvcJ2Sau
Name (3R,4R,6S)-4-bromanyl-6-[(E,2S)-4-chloranyl-2-oxidanyl-but-3-en-2-yl]-3-methyl-oxan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16BrClO3
InChI InChI=1S/C10H16BrClO3/c1-9(13,3-4-12)8-5-7(11)10(2,14)6-15-8/h3-4,7-8,13-14H,5-6H2,1-2H3/b4-3+/t7-,8+,9+,10-/m1/s1
InChIKey CXSUPLDYPUBCTI-QRSKOWNHSA-N
Molecular Weight 299.592 g/mol
SMILES O[C@]([C@@]1(C[C@]([C@@](CO1)(O)C)(Br)[H])[H])(\C=C\Cl)C
SPLASH splash10-0a4i-1900000000-aaffdb97ffb8d5994c95
Source of Spectrum G4-61-20-2
Synonyms (3R,4R,6S)-4-bromo-6-[(E,1S)-3-chloro-1-hydroxy-1-methyl-allyl]-3-methyl-tetrahydropyran-3-ol (3R,4R,6S)-4-bromo-6-[(E,2S)-4-chloro-2-hydroxybut-3-en-2-yl]-3-methyl-3-oxanol (3R,4R,6S)-4-bromo-6-[(E,2S)-4-chloro-2-hydroxybut-3-en-2-yl]-3-methyloxan-3-ol
Wiley ID 1607062