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Merulidial
SpectraBase Compound ID JW6vbm3dwVo
InChI InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14+,15+/m1/s1
InChIKey NFLNZGQBGCPDMT-WCUVEOEZSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pP7vXupZkx
Name Merulidial
CAS Registry Number 68053-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14+,15+/m1/s1
InChIKey NFLNZGQBGCPDMT-WCUVEOEZSA-N
Molecular Weight 248.322 g/mol
SMILES O[C@@]1([C@]2([C@@](C(=C3[C@]1(CC(C3)(C)C)[H])C=O)(C2)C=O)C)[H]
SPLASH splash10-0gea-0950000000-df77782833deed75fa0b
Source of Spectrum F-42-3584-1
Synonyms (1aR,5aR,6S,6aR)-4,4,6a-trimethyl-6-oxidanyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehyde (1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,4,5,5a,6,6a-hexahydrocyclopropa[f]indene-1a,2(1H)-dicarbaldehyde (1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarbaldehyde (1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cyclopropa[f]indene-1a,2-dicarboxaldehyde (1aR,5aR,6S,6aR)-6-hydroxy-4,4,6a-trimethyl-3,5,5a,6-tetrahydro-1H-cycloprop[f]indene-1a,2-dicarbaldehyde Cycloprop(f)indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-6-hydroxy-4,4,6a-trimethyl-, (1aR,5aR,6S,6aR)- Cycloprop(f)indene-1a,2(1H)-dicarboxaldehyde, 3,4,5,5a,6,6a-hexahydro-6-hydroxy-4,4,6a-trimethyl-, (1aR-(1aalpha,5abeta,6beta, 6aalpha))- BRN 3614482 CCRIS 1705
Wiley ID 1251336