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Ethyl (cis)-2-{4'-(2""-hydroxycyclohex-1'-ylmethyl]phenoxy]ethyl}carbonate
SpectraBase Compound ID HYJTA3dBuy4
InChI InChI=1S/C18H26O5/c1-2-21-18(20)23-12-11-22-16-9-7-14(8-10-16)13-15-5-3-4-6-17(15)19/h7-10,15,17,19H,2-6,11-13H2,1H3/t15-,17-/m1/s1
InChIKey CJJMAUJWWSJROZ-NVXWUHKLSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PKy89DzRXC
Name Ethyl (cis)-2-{4'-(2""-hydroxycyclohex-1'-ylmethyl]phenoxy]ethyl}carbonate
Comments Computed using HOSE algorithm
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Exact Mass 322.178023932 u
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-2-21-18(20)23-12-11-22-16-9-7-14(8-10-16)13-15-5-3-4-6-17(15)19/h7-10,15,17,19H,2-6,11-13H2,1H3/t15-,17-/m1/s1
InChIKey CJJMAUJWWSJROZ-NVXWUHKLSA-N
Molecular Weight 322.401 g/mol
SMILES C(=O)(OCC)OCCOC1=CC=C(C[C@@]2([C@](O)(CCCC2)[H])[H])C=C1