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(1RS,7RS)-5-(Hydroxymethyl)bicyclo[5.3.0]-5-decen-2-one
SpectraBase Compound ID 3JzdponkXOr
InChI InChI=1S/C11H16O2/c12-7-8-4-5-11(13)10-3-1-2-9(10)6-8/h6,9-10,12H,1-5,7H2/t9-,10-/m1/s1
InChIKey BRINABJHLOALNW-NXEZZACHSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL4rV9SAijj
Name (1RS,7RS)-5-(Hydroxymethyl)bicyclo[5.3.0]-5-decen-2-one
CAS Registry Number 142928-69-6
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1176646 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c12-7-8-4-5-11(13)10-3-1-2-9(10)6-8/h6,9-10,12H,1-5,7H2/t9-,10-/m1/s1
InChIKey BRINABJHLOALNW-NXEZZACHSA-N
Molecular Weight 180.247 g/mol
SMILES OCC1=C[C@@]2([C@](C(=O)CC1)(CCC2)[H])[H]
SPLASH splash10-0aym-7900000000-13f337130ef0d2dfd176
Source of Spectrum J-57-5374-21
Synonyms 7-(hydroxymethyl)-2,3,3a,5,6,8a-hexahydro-4(1H)-azulenone (3aR,8aR)-7-(hydroxymethyl)-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-one
Wiley ID 1821339