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Bromocryptocaryone
SpectraBase Compound ID 2xMcf7Q0Uat
InChI InChI=1S/C17H13BrO4/c18-12-9-14-11(8-15(20)22-14)16(17(12)21)13(19)7-6-10-4-2-1-3-5-10/h1-7,9,11,14,19H,8H2/b7-6+,16-13-/t11-,14-/m0/s1
InChIKey JUOPDHSHGKARKU-KMTAJFHLSA-N
Mol Weight 361.19 g/mol
Molecular Formula C17H13BrO4
Exact Mass 359.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i9CB3GGXzz
Name Bromocryptocaryone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrO4
InChI InChI=1S/C17H13BrO4/c18-12-9-14-11(8-15(20)22-14)16(17(12)21)13(19)7-6-10-4-2-1-3-5-10/h1-7,9,11,14,19H,8H2/b7-6+,16-13-/t11-,14-/m0/s1
InChIKey JUOPDHSHGKARKU-KMTAJFHLSA-N
Molecular Weight 361.191 g/mol
SMILES O\C(=C\1[C@@]2([C@](OC(C2)=O)([H])C=C(C1=O)Br)[H])\C=C\c1ccccc1
SPLASH splash10-0fc0-5960000000-a1709d8528f1c5897b20
Source of Spectrum KC-57-6194-3
Wiley ID 1625116